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

C12H15N3O2S — CID 104645700

IUPAC4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1
InChIInChI=1S/C12H15N3O2S/c13-8-10-3-5-12(6-4-10)18(16,17)15-11-2-1-7-14-9-11/h3-6,11,14-15H,1-2,7,9H2/t11-/m1/s1
InChIKeyHOJFDTZGDCHXSQ-LLVKDONJSA-N
MW265.34 g/mol
LogP0.59
Rot. Bonds3

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

4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide (PubChem CID 104645700) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
PubChem CID104645700
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1
InChIInChI=1S/C12H15N3O2S/c13-8-10-3-5-12(6-4-10)18(16,17)15-11-2-1-7-14-9-11/h3-6,11,14-15H,1-2,7,9H2/t11-/m1/s1
InChIKeyHOJFDTZGDCHXSQ-LLVKDONJSA-N
XLogP0.59
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide
CID 119964211
3-chloro-4-cyano-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982589
3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723667
3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964435
4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 120716650
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide (CID 104645700) is 4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1.
What is the InChIKey of 4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
The InChIKey is HOJFDTZGDCHXSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-8-10-3-5-12(6-4-10)18(16,17)15-11-2-1-7-14-9-11/h3-6,11,14-15H,1-2,7,9H2/t11-/m1/s1.
What are the key properties of 4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide?
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 0.59, 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)-piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 104645700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).