General Information of the Compound
Compound ID
CP0037929
Compound Name
4-(hydroxymethyl)benzene-1-sulfonamide
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Synonyms
4-(hydroxymethyl)benzenesulfonamide
4-Hydroxymethyl-benzenesulfonamide
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Structure
Formula
C7H9NO3S
Molecular Weight
187.22
Canonical SMILES
NS(=O)(=O)c1ccc(CO)cc1
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InChI
InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11)
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InChIKey
UULCVOIRJRJPQS-UHFFFAOYSA-N
Physicochemical Property
logP
-0.1737
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
80.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
12

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 10081162
SID: 15067121
ChEMBL ID
CHEMBL6919
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00209, Carbonic anhydrase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 768 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 768 nM
Clinical Information about the Compound
Drug 1 ( 4-(hydroxymethyl)benzenesulfonamide )
Drug Name 4-(hydroxymethyl)benzenesulfonamide
Target(s)
Carbonic anhydrase XII (CA-XII)
Inhibitor
Carbonic anhydrase XIV (CA-XIV)
Inhibitor
Carbonic anhydrase VI (CA-VI)
Inhibitor
Carbonic anhydrase IX (CA-IX)
Inhibitor
Carbonic anhydrase II (CA-II)
Inhibitor
Carbonic anhydrase I (CA-I)
Inhibitor