2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

C10H12N2O3S — CID 60961531

IUPAC2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C10H12N2O3S/c1-12(6-7-13)16(14,15)10-5-3-2-4-9(10)8-11/h2-5,13H,6-7H2,1H3
InChIKeyCWNDYBAYCJJJLK-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.17
Rot. Bonds4

About 2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 60961531) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID60961531
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C10H12N2O3S/c1-12(6-7-13)16(14,15)10-5-3-2-4-9(10)8-11/h2-5,13H,6-7H2,1H3
InChIKeyCWNDYBAYCJJJLK-UHFFFAOYSA-N
XLogP0.17
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide 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

2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356240
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide
CID 131929212
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
2-cyano-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3431628
2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544727
ethyl 2-[(2-cyanophenyl)sulfonyl-methylamino]acetate
CID 54943099
2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
CID 43273076
2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604975
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 103833705
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 60961531) is 2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is CN(CCO)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is CWNDYBAYCJJJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-12(6-7-13)16(14,15)10-5-3-2-4-9(10)8-11/h2-5,13H,6-7H2,1H3.
What are the key properties of 2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 240.28 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60961531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).