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

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Related Compounds

N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 51149463
3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119377248
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
1-[4-[3-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 18280417
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119487555
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035

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).