N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide

C20H24N2O3S — CID 109059411

IUPACN-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(17-8-4-2-5-9-17)21-26(24,25)19-12-10-18(11-13-19)20(23)22-14-6-3-7-15-22/h2,4-5,8-13,16,21H,3,6-7,14-15H2,1H3
InChIKeyUDJMOBUTYNMHSH-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.35
Rot. Bonds5

About N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide

N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109059411) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID109059411
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(17-8-4-2-5-9-17)21-26(24,25)19-12-10-18(11-13-19)20(23)22-14-6-3-7-15-22/h2,4-5,8-13,16,21H,3,6-7,14-15H2,1H3
InChIKeyUDJMOBUTYNMHSH-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
CID 109060714
N-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7369582
4-[2-(azepan-1-yl)-2-oxoethoxy]-N-(1-phenylethyl)benzenesulfonamide
CID 4213059
4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide
CID 2947715
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 41309315
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 9314889
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 132685123
N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide
CID 78902809
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide (CID 109059411) is N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is UDJMOBUTYNMHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16(17-8-4-2-5-9-17)21-26(24,25)19-12-10-18(11-13-19)20(23)22-14-6-3-7-15-22/h2,4-5,8-13,16,21H,3,6-7,14-15H2,1H3.
What are the key properties of N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide?
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109059411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).