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

C20H24N2O3S — CID 18105342

IUPACN-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O3S/c1-16-7-6-12-22(15-16)20(23)18-10-5-11-19(13-18)26(24,25)21-14-17-8-3-2-4-9-17/h2-5,8-11,13,16,21H,6-7,12,14-15H2,1H3
InChIKeyGIVVKAHQPADWKM-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.04
Rot. Bonds5

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

N-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 18105342) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID18105342
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O3S/c1-16-7-6-12-22(15-16)20(23)18-10-5-11-19(13-18)26(24,25)21-14-17-8-3-2-4-9-17/h2-5,8-11,13,16,21H,6-7,12,14-15H2,1H3
InChIKeyGIVVKAHQPADWKM-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 18105342) is N-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1.
What is the InChIKey of N-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is GIVVKAHQPADWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-7-6-12-22(15-16)20(23)18-10-5-11-19(13-18)26(24,25)21-14-17-8-3-2-4-9-17/h2-5,8-11,13,16,21H,6-7,12,14-15H2,1H3.
What are the key properties of N-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 18105342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).