5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide

C13H19ClN2O2S — CID 120725193

IUPAC5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC1CCNCC1C
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-4-11(14)7-13(9)19(17,18)16-12-5-6-15-8-10(12)2/h3-4,7,10,12,15-16H,5-6,8H2,1-2H3
InChIKeyIWAGAJVKVUIHHK-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.92
Rot. Bonds3

About 5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide

5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 120725193) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID120725193
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC1CCNCC1C
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-4-11(14)7-13(9)19(17,18)16-12-5-6-15-8-10(12)2/h3-4,7,10,12,15-16H,5-6,8H2,1-2H3
InChIKeyIWAGAJVKVUIHHK-UHFFFAOYSA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 122561460
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724642
2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 129467888
4-bromo-2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725020
5-chloro-N-(3-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 120725117
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
methyl 4-chloro-2-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722836

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide (CID 120725193) is 5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NC1CCNCC1C.
What is the InChIKey of 5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is IWAGAJVKVUIHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-3-4-11(14)7-13(9)19(17,18)16-12-5-6-15-8-10(12)2/h3-4,7,10,12,15-16H,5-6,8H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 1.92, 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-(3-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 120725193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).