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

C13H20Cl2N2O2S — CID 120722895

IUPAC3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCc1c(Cl)cccc1S(=O)(=O)NC1CNCCC1C.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-9-6-7-15-8-12(9)16-19(17,18)13-5-3-4-11(14)10(13)2;/h3-5,9,12,15-16H,6-8H2,1-2H3;1H
InChIKeyGCJDOZFBONXRIO-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.35
Rot. Bonds3

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

3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (PubChem CID 120722895) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
PubChem CID120722895
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCc1c(Cl)cccc1S(=O)(=O)NC1CNCCC1C.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-9-6-7-15-8-12(9)16-19(17,18)13-5-3-4-11(14)10(13)2;/h3-5,9,12,15-16H,6-8H2,1-2H3;1H
InChIKeyGCJDOZFBONXRIO-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120723086
2,3-difluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722734
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723323
3-chloro-2-cyano-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725253
methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724941
2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide
CID 120723047
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120876388
3-bromo-5-chloro-2-methoxy-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723013

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (CID 120722895) is 3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is Cc1c(Cl)cccc1S(=O)(=O)NC1CNCCC1C.Cl.
What is the InChIKey of 3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The InChIKey is GCJDOZFBONXRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S.ClH/c1-9-6-7-15-8-12(9)16-19(17,18)13-5-3-4-11(14)10(13)2;/h3-5,9,12,15-16H,6-8H2,1-2H3;1H.
What are the key properties of 3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride has a molecular weight of 339.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120722895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).