3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide

C13H15N3O2S — CID 8795010

IUPAC3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@](C)(C#N)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H15N3O2S/c1-10(2)13(3,9-15)16-19(17,18)12-6-4-5-11(7-12)8-14/h4-7,10,16H,1-3H3/t13-/m1/s1
InChIKeyXVIKUVPPOVDZMW-CYBMUJFWSA-N
MW277.35 g/mol
LogP1.77
Rot. Bonds4

About 3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide

3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide (PubChem CID 8795010) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
PubChem CID8795010
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@](C)(C#N)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H15N3O2S/c1-10(2)13(3,9-15)16-19(17,18)12-6-4-5-11(7-12)8-14/h4-7,10,16H,1-3H3/t13-/m1/s1
InChIKeyXVIKUVPPOVDZMW-CYBMUJFWSA-N
XLogP1.77
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide 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

3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8778291
3-cyano-N-(3-cyanopentan-3-yl)benzenesulfonamide
CID 61122321
3-cyano-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7510319
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide
CID 8794976
N-but-3-en-2-yl-3-cyanobenzenesulfonamide
CID 103750108
3-cyano-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62522313
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
3-cyano-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
CID 104854782
N-[3-(aminomethyl)pentan-3-yl]-3-cyanobenzenesulfonamide;hydrochloride
CID 119981457
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide
CID 8778267
3-cyano-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650765
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide (CID 8795010) is 3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide is CC(C)[C@@](C)(C#N)NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide?
The InChIKey is XVIKUVPPOVDZMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10(2)13(3,9-15)16-19(17,18)12-6-4-5-11(7-12)8-14/h4-7,10,16H,1-3H3/t13-/m1/s1.
What are the key properties of 3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide?
3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 8795010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).