N-(3-cyanophenyl)-2-hydroxyethanesulfonamide

C9H10N2O3S — CID 79026439

IUPACN-(3-cyanophenyl)-2-hydroxyethanesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)CCO)c1
InChIInChI=1S/C9H10N2O3S/c10-7-8-2-1-3-9(6-8)11-15(13,14)5-4-12/h1-3,6,11-12H,4-5H2
InChIKeyONGJWABXJUMAED-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.29
Rot. Bonds4

About N-(3-cyanophenyl)-2-hydroxyethanesulfonamide

N-(3-cyanophenyl)-2-hydroxyethanesulfonamide (PubChem CID 79026439) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-hydroxyethanesulfonamide
PubChem CID79026439
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC NameN-(3-cyanophenyl)-2-hydroxyethanesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)CCO)c1
InChIInChI=1S/C9H10N2O3S/c10-7-8-2-1-3-9(6-8)11-15(13,14)5-4-12/h1-3,6,11-12H,4-5H2
InChIKeyONGJWABXJUMAED-UHFFFAOYSA-N
XLogP0.29
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanophenyl)-2-hydroxyethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanophenyl)-3-hydroxy-2,2-dimethylpropane-1-sulfonamide
CID 94695849
3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026524
1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619
N-(3-cyanophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247332
N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607007
1-cyano-3-(diethylsulfamoylamino)benzene
CID 28785061
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947831
methyl 3-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfamoyl]propanoate
CID 61458598

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-hydroxyethanesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-2-hydroxyethanesulfonamide (CID 79026439) is N-(3-cyanophenyl)-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-hydroxyethanesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-2-hydroxyethanesulfonamide is N#Cc1cccc(NS(=O)(=O)CCO)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-hydroxyethanesulfonamide?
The InChIKey is ONGJWABXJUMAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c10-7-8-2-1-3-9(6-8)11-15(13,14)5-4-12/h1-3,6,11-12H,4-5H2.
What are the key properties of N-(3-cyanophenyl)-2-hydroxyethanesulfonamide?
N-(3-cyanophenyl)-2-hydroxyethanesulfonamide has a molecular weight of 226.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-hydroxyethanesulfonamide is sourced from PubChem (CID 79026439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).