4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide

C12H14ClN3O2S — CID 119964211

IUPAC4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NC2CCCNC2)ccc1Cl
InChIInChI=1S/C12H14ClN3O2S/c13-12-4-3-11(6-9(12)7-14)19(17,18)16-10-2-1-5-15-8-10/h3-4,6,10,15-16H,1-2,5,8H2
InChIKeyBUGOPZQQNJGUOP-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.24
Rot. Bonds3

About 4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide

4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 119964211) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide
PubChem CID119964211
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NC2CCCNC2)ccc1Cl
InChIInChI=1S/C12H14ClN3O2S/c13-12-4-3-11(6-9(12)7-14)19(17,18)16-10-2-1-5-15-8-10/h3-4,6,10,15-16H,1-2,5,8H2
InChIKeyBUGOPZQQNJGUOP-UHFFFAOYSA-N
XLogP1.24
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982589
3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964435
3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723667
3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 106606906
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-chloro-3-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968407
4-chloro-N-[(3S)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104982544
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104645676
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide (CID 119964211) is 4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide is N#Cc1cc(S(=O)(=O)NC2CCCNC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is BUGOPZQQNJGUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c13-12-4-3-11(6-9(12)7-14)19(17,18)16-10-2-1-5-15-8-10/h3-4,6,10,15-16H,1-2,5,8H2.
What are the key properties of 4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide?
4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 119964211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).