N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide

C13H20N2O2S — CID 79032927

IUPACN-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccccc2)CCN1C
InChIInChI=1S/C13H20N2O2S/c1-11-10-12(8-9-15(11)2)14-18(16,17)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyHCAUJBPSRDKCNY-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.45
Rot. Bonds3

About N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide

N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 79032927) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide
PubChem CID79032927
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccccc2)CCN1C
InChIInChI=1S/C13H20N2O2S/c1-11-10-12(8-9-15(11)2)14-18(16,17)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyHCAUJBPSRDKCNY-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 103697791
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzenesulfonamide
CID 113225622
6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide
CID 115650598
5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614625
5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106074079
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
CID 91241867
N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106074074
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 106074086
3-amino-5-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114379990
N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
CID 95310247

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide (CID 79032927) is N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide is CC1CC(NS(=O)(=O)c2ccccc2)CCN1C.
What is the InChIKey of N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is HCAUJBPSRDKCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-10-12(8-9-15(11)2)14-18(16,17)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3.
What are the key properties of N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide?
N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 79032927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).