3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide

C13H20N2O2S — CID 55202262

IUPAC3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CNCCC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-4-3-5-12(8-10)18(16,17)15-13-9-14-7-6-11(13)2/h3-5,8,11,13-15H,6-7,9H2,1-2H3
InChIKeyDFFNVOQDDVGYKG-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.27
Rot. Bonds3

About 3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide

3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 55202262) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID55202262
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CNCCC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-4-3-5-12(8-10)18(16,17)15-13-9-14-7-6-11(13)2/h3-5,8,11,13-15H,6-7,9H2,1-2H3
InChIKeyDFFNVOQDDVGYKG-UHFFFAOYSA-N
XLogP1.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722944
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120723238
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723323
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724850
3-chloro-2-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722895
3-cyano-4-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722842
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120723237

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide (CID 55202262) is 3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NC2CNCCC2C)c1.
What is the InChIKey of 3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is DFFNVOQDDVGYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-4-3-5-12(8-10)18(16,17)15-13-9-14-7-6-11(13)2/h3-5,8,11,13-15H,6-7,9H2,1-2H3.
What are the key properties of 3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide?
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 55202262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).