N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide

C29H35FN2O2S — CID 20978976

IUPACN-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
SMILESCc1ccc(C(CCNS(=O)(=O)c2ccccc2)CCN2CCC(c3ccccc3)CC2)cc1F
InChIInChI=1S/C29H35FN2O2S/c1-23-12-13-27(22-29(23)30)25(14-18-31-35(33,34)28-10-6-3-7-11-28)15-19-32-20-16-26(17-21-32)24-8-4-2-5-9-24/h2-13,22,25-26,31H,14-21H2,1H3
InChIKeyVPOCUQJIFVLXFH-UHFFFAOYSA-N
MW494.68 g/mol
LogP5.86
Rot. Bonds10

About N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide

N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide (PubChem CID 20978976) has the molecular formula C29H35FN2O2S and a molecular weight of 494.68 g/mol. Its IUPAC name is N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
PubChem CID20978976
Molecular FormulaC29H35FN2O2S
Molecular Weight494.68 g/mol
Exact Mass494.24
IUPAC NameN-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
SMILESCc1ccc(C(CCNS(=O)(=O)c2ccccc2)CCN2CCC(c3ccccc3)CC2)cc1F
InChIInChI=1S/C29H35FN2O2S/c1-23-12-13-27(22-29(23)30)25(14-18-31-35(33,34)28-10-6-3-7-11-28)15-19-32-20-16-26(17-21-32)24-8-4-2-5-9-24/h2-13,22,25-26,31H,14-21H2,1H3
InChIKeyVPOCUQJIFVLXFH-UHFFFAOYSA-N
XLogP5.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978974
N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978969
N-[2-(4-fluoro-3-methylphenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 23285339
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 168832226
N-[3-(3-chlorophenyl)-5-[4-(phenylmethoxymethyl)piperidin-1-yl]pentyl]benzenesulfonamide
CID 20978929
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 70263958
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide
CID 141081664
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 141081625
3-fluoro-4-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607069
4-fluoro-3-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 71787104

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
The IUPAC name of N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide (CID 20978976) is N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
The canonical SMILES for N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide is Cc1ccc(C(CCNS(=O)(=O)c2ccccc2)CCN2CCC(c3ccccc3)CC2)cc1F.
What is the InChIKey of N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
The InChIKey is VPOCUQJIFVLXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN2O2S/c1-23-12-13-27(22-29(23)30)25(14-18-31-35(33,34)28-10-6-3-7-11-28)15-19-32-20-16-26(17-21-32)24-8-4-2-5-9-24/h2-13,22,25-26,31H,14-21H2,1H3.
What are the key properties of N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide has a molecular weight of 494.68 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide is sourced from PubChem (CID 20978976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).