N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide

C20H24N2O3S — CID 24672674

IUPACN-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-2-26(24,25)21-19-10-6-9-18(15-19)20(23)22-13-11-17(12-14-22)16-7-4-3-5-8-16/h3-10,15,17,21H,2,11-14H2,1H3
InChIKeyGEKIGVYLNMQRDO-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.47
Rot. Bonds5

About N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide

N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide (PubChem CID 24672674) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
PubChem CID24672674
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O3S/c1-2-26(24,25)21-19-10-6-9-18(15-19)20(23)22-13-11-17(12-14-22)16-7-4-3-5-8-16/h3-10,15,17,21H,2,11-14H2,1H3
InChIKeyGEKIGVYLNMQRDO-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide
CID 25153362
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
N-phenyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660136
(4-phenylpiperidin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 24660134
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]propane-1-sulfonamide
CID 78846925
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 119380877
N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]propane-1-sulfonamide
CID 25335292
[4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 39580416
2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
CID 633858
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 134019044

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide (CID 24672674) is N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide?
The InChIKey is GEKIGVYLNMQRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-26(24,25)21-19-10-6-9-18(15-19)20(23)22-13-11-17(12-14-22)16-7-4-3-5-8-16/h3-10,15,17,21H,2,11-14H2,1H3.
What are the key properties of N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide?
N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 24672674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).