N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide

C30H38N2O2S — CID 20978974

IUPACN-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
SMILESCc1ccc(C(CCNS(=O)(=O)c2ccccc2)CCN2CCC(c3ccccc3)CC2)cc1C
InChIInChI=1S/C30H38N2O2S/c1-24-13-14-29(23-25(24)2)27(15-19-31-35(33,34)30-11-7-4-8-12-30)16-20-32-21-17-28(18-22-32)26-9-5-3-6-10-26/h3-14,23,27-28,31H,15-22H2,1-2H3
InChIKeyJJJFMYSGCHHCLK-UHFFFAOYSA-N
MW490.71 g/mol
LogP6.03
Rot. Bonds10

About N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide

N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide (PubChem CID 20978974) has the molecular formula C30H38N2O2S and a molecular weight of 490.71 g/mol. Its IUPAC name is N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
PubChem CID20978974
Molecular FormulaC30H38N2O2S
Molecular Weight490.71 g/mol
Exact Mass490.27
IUPAC NameN-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
SMILESCc1ccc(C(CCNS(=O)(=O)c2ccccc2)CCN2CCC(c3ccccc3)CC2)cc1C
InChIInChI=1S/C30H38N2O2S/c1-24-13-14-29(23-25(24)2)27(15-19-31-35(33,34)30-11-7-4-8-12-30)16-20-32-21-17-28(18-22-32)26-9-5-3-6-10-26/h3-14,23,27-28,31H,15-22H2,1-2H3
InChIKeyJJJFMYSGCHHCLK-UHFFFAOYSA-N
XLogP6.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.71
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978976
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-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide
CID 141081664
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 70263958
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
3,5-dimethyl-N-[3-(4-phenylpiperidin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 141081625
N-methyl-N-[(2S)-4-(4-phenylpiperidin-1-yl)-2-thiophen-2-ylbutyl]benzenesulfonamide
CID 102462473
N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 166236847
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
The IUPAC name of N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide (CID 20978974) is N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
The canonical SMILES for N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide is Cc1ccc(C(CCNS(=O)(=O)c2ccccc2)CCN2CCC(c3ccccc3)CC2)cc1C.
What is the InChIKey of N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
The InChIKey is JJJFMYSGCHHCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2S/c1-24-13-14-29(23-25(24)2)27(15-19-31-35(33,34)30-11-7-4-8-12-30)16-20-32-21-17-28(18-22-32)26-9-5-3-6-10-26/h3-14,23,27-28,31H,15-22H2,1-2H3.
What are the key properties of N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide?
N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide has a molecular weight of 490.71 g/mol, XLogP of 6.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide is sourced from PubChem (CID 20978974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).