N-(3,5-dimethylphenyl)piperidine-1-sulfonamide

C13H20N2O2S — CID 2989044

IUPACN-(3,5-dimethylphenyl)piperidine-1-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-11-8-12(2)10-13(9-11)14-18(16,17)15-6-4-3-5-7-15/h8-10,14H,3-7H2,1-2H3
InChIKeyFKOZHNHYOJHVIG-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.45
Rot. Bonds3

About N-(3,5-dimethylphenyl)piperidine-1-sulfonamide

N-(3,5-dimethylphenyl)piperidine-1-sulfonamide (PubChem CID 2989044) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)piperidine-1-sulfonamide
PubChem CID2989044
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(3,5-dimethylphenyl)piperidine-1-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C13H20N2O2S/c1-11-8-12(2)10-13(9-11)14-18(16,17)15-6-4-3-5-7-15/h8-10,14H,3-7H2,1-2H3
InChIKeyFKOZHNHYOJHVIG-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)piperidine-1-sulfonamide (CID 2989044) is N-(3,5-dimethylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)piperidine-1-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)piperidine-1-sulfonamide?
The InChIKey is FKOZHNHYOJHVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-8-12(2)10-13(9-11)14-18(16,17)15-6-4-3-5-7-15/h8-10,14H,3-7H2,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)piperidine-1-sulfonamide?
N-(3,5-dimethylphenyl)piperidine-1-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 2989044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).