N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide

C28H33ClN2O2S — CID 23285220

IUPACN-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
SMILESCN(CC(CCN1CCCC(c2ccccc2)C1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-15-6-3-7-16-28)21-26(24-12-8-14-27(29)20-24)17-19-31-18-9-13-25(22-31)23-10-4-2-5-11-23/h2-8,10-12,14-16,20,25-26H,9,13,17-19,21-22H2,1H3
InChIKeyBSYOLLNMELLWPP-UHFFFAOYSA-N
MW497.10 g/mol
LogP6.01
Rot. Bonds9

About N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide

N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide (PubChem CID 23285220) has the molecular formula C28H33ClN2O2S and a molecular weight of 497.10 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
PubChem CID23285220
Molecular FormulaC28H33ClN2O2S
Molecular Weight497.10 g/mol
Exact Mass496.20
IUPAC NameN-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
SMILESCN(CC(CCN1CCCC(c2ccccc2)C1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-15-6-3-7-16-28)21-26(24-12-8-14-27(29)20-24)17-19-31-18-9-13-25(22-31)23-10-4-2-5-11-23/h2-8,10-12,14-16,20,25-26H,9,13,17-19,21-22H2,1H3
InChIKeyBSYOLLNMELLWPP-UHFFFAOYSA-N
XLogP6.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.10
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 70263958
N-[4-(4-tert-butylpiperidin-1-yl)-2-(3-chlorophenyl)butyl]-N-methylbenzenesulfonamide
CID 23285252
N-[2-(3-chlorophenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
CID 23285232
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperazin-1-yl)butyl]-N-methylbenzenesulfonamide
CID 5481727
methyl 2-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-(3-chlorophenyl)butyl]piperidin-4-yl]benzoate;hydrochloride
CID 70262323
N-[(2S)-2-(3-chlorophenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butyl]-N-methylbenzenesulfonamide
CID 54375731
N-[(2S)-4-[4-(2-benzyltetrazol-5-yl)piperidin-1-yl]-2-(3-chlorophenyl)butyl]-N-methylbenzenesulfonamide
CID 54086626
N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide
CID 23285239
N-[(2S)-2-(3-chlorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutyl]-N-methylbenzenesulfonamide
CID 5481711
N-[2-(3-chlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylbenzenesulfonamide
CID 57055817
N-[4-(4-acetyl-4-phenylpiperidin-1-yl)-2-(3-chlorophenyl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 23285284
N-[2-(4-fluoro-3-methylphenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 23285339

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide (CID 23285220) is N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide is CN(CC(CCN1CCCC(c2ccccc2)C1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide?
The InChIKey is BSYOLLNMELLWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O2S/c1-30(34(32,33)28-15-6-3-7-16-28)21-26(24-12-8-14-27(29)20-24)17-19-31-18-9-13-25(22-31)23-10-4-2-5-11-23/h2-8,10-12,14-16,20,25-26H,9,13,17-19,21-22H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide?
N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide has a molecular weight of 497.10 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 23285220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).