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

C12H15Cl2N3O2S — CID 119964435

IUPAC3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.N#Cc1ccc(S(=O)(=O)NC2CCCNC2)cc1Cl
InChIInChI=1S/C12H14ClN3O2S.ClH/c13-12-6-11(4-3-9(12)7-14)19(17,18)16-10-2-1-5-15-8-10;/h3-4,6,10,15-16H,1-2,5,8H2;1H
InChIKeyFTUWRBJBSHNTPJ-UHFFFAOYSA-N
MW336.24 g/mol
LogP1.66
Rot. Bonds3

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

3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119964435) has the molecular formula C12H15Cl2N3O2S and a molecular weight of 336.24 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119964435
Molecular FormulaC12H15Cl2N3O2S
Molecular Weight336.24 g/mol
Exact Mass335.03
IUPAC Name3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.N#Cc1ccc(S(=O)(=O)NC2CCCNC2)cc1Cl
InChIInChI=1S/C12H14ClN3O2S.ClH/c13-12-6-11(4-3-9(12)7-14)19(17,18)16-10-2-1-5-15-8-10;/h3-4,6,10,15-16H,1-2,5,8H2;1H
InChIKeyFTUWRBJBSHNTPJ-UHFFFAOYSA-N
XLogP1.66
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride 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-chloro-4-cyano-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982589
4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide
CID 119964211
3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723667
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 106606906
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
4-chloro-N-[(3S)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104982544
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104645676
3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 112703665

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (CID 119964435) is 3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is Cl.N#Cc1ccc(S(=O)(=O)NC2CCCNC2)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is FTUWRBJBSHNTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S.ClH/c13-12-6-11(4-3-9(12)7-14)19(17,18)16-10-2-1-5-15-8-10;/h3-4,6,10,15-16H,1-2,5,8H2;1H.
What are the key properties of 3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 336.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119964435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).