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

C13H21ClN2O2S — CID 120726682

IUPAC4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2C)cc1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-10-5-7-12(8-6-10)18(16,17)15-13-4-3-9-14-11(13)2;/h5-8,11,13-15H,3-4,9H2,1-2H3;1H
InChIKeyHRTSUIRGVRJOAR-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.84
Rot. Bonds3

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

4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (PubChem CID 120726682) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
PubChem CID120726682
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2C)cc1.Cl
InChIInChI=1S/C13H20N2O2S.ClH/c1-10-5-7-12(8-6-10)18(16,17)15-13-4-3-9-14-11(13)2;/h5-8,11,13-15H,3-4,9H2,1-2H3;1H
InChIKeyHRTSUIRGVRJOAR-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
N-(2-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 120726763
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726766
2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120726485
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726555
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
N,N-dimethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]benzamide
CID 120726525

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride (CID 120726682) is 4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NC2CCCNC2C)cc1.Cl.
What is the InChIKey of 4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
The InChIKey is HRTSUIRGVRJOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c1-10-5-7-12(8-6-10)18(16,17)15-13-4-3-9-14-11(13)2;/h5-8,11,13-15H,3-4,9H2,1-2H3;1H.
What are the key properties of 4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride?
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120726682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).