5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride

C12H18Cl2N2O2S — CID 120716768

IUPAC5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCNC1.Cl
InChIInChI=1S/C12H17ClN2O2S.ClH/c1-9-4-5-10(13)7-12(9)18(16,17)15-11-3-2-6-14-8-11;/h4-5,7,11,14-15H,2-3,6,8H2,1H3;1H/t11-;/m0./s1
InChIKeyWZNZVDDIZUCTGS-MERQFXBCSA-N
MW325.26 g/mol
LogP2.10
Rot. Bonds3

About 5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride

5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride (PubChem CID 120716768) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
PubChem CID120716768
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCNC1.Cl
InChIInChI=1S/C12H17ClN2O2S.ClH/c1-9-4-5-10(13)7-12(9)18(16,17)15-11-3-2-6-14-8-11;/h4-5,7,11,14-15H,2-3,6,8H2,1H3;1H/t11-;/m0./s1
InChIKeyWZNZVDDIZUCTGS-MERQFXBCSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;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

4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964177
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
5-chloro-N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 95984034
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120707170
2,5-dichloro-N-piperidin-3-ylthiophene-3-sulfonamide;hydrochloride
CID 119964259

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride (CID 120716768) is 5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride is Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCNC1.Cl.
What is the InChIKey of 5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The InChIKey is WZNZVDDIZUCTGS-MERQFXBCSA-N. The full InChI is InChI=1S/C12H17ClN2O2S.ClH/c1-9-4-5-10(13)7-12(9)18(16,17)15-11-3-2-6-14-8-11;/h4-5,7,11,14-15H,2-3,6,8H2,1H3;1H/t11-;/m0./s1.
What are the key properties of 5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride has a molecular weight of 325.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120716768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).