N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

C18H28N2O3S — CID 109065260

IUPACN-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cccc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C18H28N2O3S/c1-14(2)9-10-19-24(22,23)17-8-4-7-16(12-17)18(21)20-11-5-6-15(3)13-20/h4,7-8,12,14-15,19H,5-6,9-11,13H2,1-3H3
InChIKeySUNQQVKWUFMWLT-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.88
Rot. Bonds6

About N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109065260) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID109065260
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cccc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C18H28N2O3S/c1-14(2)9-10-19-24(22,23)17-8-4-7-16(12-17)18(21)20-11-5-6-15(3)13-20/h4,7-8,12,14-15,19H,5-6,9-11,13H2,1-3H3
InChIKeySUNQQVKWUFMWLT-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 109065260) is N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is CC(C)CCNS(=O)(=O)c1cccc(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is SUNQQVKWUFMWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14(2)9-10-19-24(22,23)17-8-4-7-16(12-17)18(21)20-11-5-6-15(3)13-20/h4,7-8,12,14-15,19H,5-6,9-11,13H2,1-3H3.
What are the key properties of N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109065260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).