4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide

C11H13N3O2S — CID 79685701

IUPAC4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1
InChIInChI=1S/C11H13N3O2S/c12-7-9-1-3-11(4-2-9)17(15,16)14-10-5-6-13-8-10/h1-4,10,13-14H,5-6,8H2/t10-/m1/s1
InChIKeyNJZGCTLHIBRBSG-SNVBAGLBSA-N
MW251.31 g/mol
LogP0.20
Rot. Bonds3

About 4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide

4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 79685701) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
PubChem CID79685701
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1
InChIInChI=1S/C11H13N3O2S/c12-7-9-1-3-11(4-2-9)17(15,16)14-10-5-6-13-8-10/h1-4,10,13-14H,5-6,8H2/t10-/m1/s1
InChIKeyNJZGCTLHIBRBSG-SNVBAGLBSA-N
XLogP0.20
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
5-cyano-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685043
2-chloro-5-cyano-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 80703952
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
N-methyl-4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide
CID 79685787
4-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 62378636
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide (CID 79685701) is 4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)N[C@@H]2CCNC2)cc1.
What is the InChIKey of 4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is NJZGCTLHIBRBSG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-7-9-1-3-11(4-2-9)17(15,16)14-10-5-6-13-8-10/h1-4,10,13-14H,5-6,8H2/t10-/m1/s1.
What are the key properties of 4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide?
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 79685701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).