3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide

C14H22N2O2S — CID 79044055

IUPAC3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2C)cc1C
InChIInChI=1S/C14H22N2O2S/c1-10-6-7-13(9-11(10)2)19(17,18)16-14-5-4-8-15-12(14)3/h6-7,9,12,14-16H,4-5,8H2,1-3H3
InChIKeyWDDOTLZLDGROTP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.72
Rot. Bonds3

About 3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide

3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 79044055) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID79044055
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2C)cc1C
InChIInChI=1S/C14H22N2O2S/c1-10-6-7-13(9-11(10)2)19(17,18)16-14-5-4-8-15-12(14)3/h6-7,9,12,14-16H,4-5,8H2,1-3H3
InChIKeyWDDOTLZLDGROTP-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
CID 120726415
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576695
3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726470
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195
2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120726485

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide (CID 79044055) is 3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCNC2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is WDDOTLZLDGROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-6-7-13(9-11(10)2)19(17,18)16-14-5-4-8-15-12(14)3/h6-7,9,12,14-16H,4-5,8H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 79044055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).