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

C12H15N3O2S — CID 59763367

IUPAC3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC[C@@H]2CCCN2)c1
InChIInChI=1S/C12H15N3O2S/c13-8-10-3-1-5-12(7-10)18(16,17)15-9-11-4-2-6-14-11/h1,3,5,7,11,14-15H,2,4,6,9H2/t11-/m0/s1
InChIKeyKOXRHTHONSRLLE-NSHDSACASA-N
MW265.34 g/mol
LogP0.59
Rot. Bonds4

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

3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide (PubChem CID 59763367) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide
PubChem CID59763367
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC[C@@H]2CCCN2)c1
InChIInChI=1S/C12H15N3O2S/c13-8-10-3-1-5-12(7-10)18(16,17)15-9-11-4-2-6-14-11/h1,3,5,7,11,14-15H,2,4,6,9H2/t11-/m0/s1
InChIKeyKOXRHTHONSRLLE-NSHDSACASA-N
XLogP0.59
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide (CID 59763367) is 3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NC[C@@H]2CCCN2)c1.
What is the InChIKey of 3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide?
The InChIKey is KOXRHTHONSRLLE-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-8-10-3-1-5-12(7-10)18(16,17)15-9-11-4-2-6-14-11/h1,3,5,7,11,14-15H,2,4,6,9H2/t11-/m0/s1.
What are the key properties of 3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide?
3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[(2S)-pyrrolidin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 59763367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).