General Information of the Compound
Compound ID
CP0034786
Compound Name
4-(2-hydroxyethyl)benzene-1-sulfonamide
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Structure
Formula
C8H11NO3S
Molecular Weight
201.247
Canonical SMILES
NS(=O)(=O)c1ccc(CCO)cc1
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InChI
InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)
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InChIKey
RYKHXKKLCRPAJP-UHFFFAOYSA-N
Physicochemical Property
logP
-0.1312
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
80.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 10375558
SID: 15389709
ChEMBL ID
CHEMBL6784
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 = 770 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 770 nM