N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide

C9H9FN2O3S — CID 79588959

IUPACN-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide
SMILESN#Cc1c(F)cccc1NS(=O)(=O)CCO
InChIInChI=1S/C9H9FN2O3S/c10-8-2-1-3-9(7(8)6-11)12-16(14,15)5-4-13/h1-3,12-13H,4-5H2
InChIKeyYPHZCAKDWMZSJE-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.43
Rot. Bonds4

About N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide

N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide (PubChem CID 79588959) has the molecular formula C9H9FN2O3S and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide
PubChem CID79588959
Molecular FormulaC9H9FN2O3S
Molecular Weight244.25 g/mol
Exact Mass244.03
IUPAC NameN-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide
SMILESN#Cc1c(F)cccc1NS(=O)(=O)CCO
InChIInChI=1S/C9H9FN2O3S/c10-8-2-1-3-9(7(8)6-11)12-16(14,15)5-4-13/h1-3,12-13H,4-5H2
InChIKeyYPHZCAKDWMZSJE-UHFFFAOYSA-N
XLogP0.43
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyano-3-fluorophenyl)-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

4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid
CID 43580600
2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide
CID 107804201
2-fluoro-6-(5-hydroxypentylamino)benzonitrile
CID 62227529
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
2-fluoro-6-(4-hydroxybutan-2-ylamino)benzonitrile
CID 78997304
N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 43580569
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
N-(3-cyanophenyl)-2-hydroxyethanesulfonamide
CID 79026439
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845262
2-fluoro-6-[(2-methyl-2-methylsulfonylpropyl)amino]benzonitrile
CID 79563190

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide (CID 79588959) is N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide is N#Cc1c(F)cccc1NS(=O)(=O)CCO.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide?
The InChIKey is YPHZCAKDWMZSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3S/c10-8-2-1-3-9(7(8)6-11)12-16(14,15)5-4-13/h1-3,12-13H,4-5H2.
What are the key properties of N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide?
N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide has a molecular weight of 244.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide is sourced from PubChem (CID 79588959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).