4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide

C24H27NO2S2 — CID 152503716

IUPAC4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCC(C)Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NO2S2/c1-19-13-16-23(17-14-19)29(26,27)25-24(21-9-5-3-6-10-21)18-15-20(2)28-22-11-7-4-8-12-22/h3-14,16-17,20,24-25H,15,18H2,1-2H3
InChIKeyYDZYNYAXKWEDPM-UHFFFAOYSA-N
MW425.62 g/mol
LogP5.98
Rot. Bonds9

About 4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide

4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide (PubChem CID 152503716) has the molecular formula C24H27NO2S2 and a molecular weight of 425.62 g/mol. Its IUPAC name is 4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
PubChem CID152503716
Molecular FormulaC24H27NO2S2
Molecular Weight425.62 g/mol
Exact Mass425.15
IUPAC Name4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCC(C)Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27NO2S2/c1-19-13-16-23(17-14-19)29(26,27)25-24(21-9-5-3-6-10-21)18-15-20(2)28-22-11-7-4-8-12-22/h3-14,16-17,20,24-25H,15,18H2,1-2H3
InChIKeyYDZYNYAXKWEDPM-UHFFFAOYSA-N
XLogP5.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide
CID 134832138
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
4-methyl-N-[(2R,3S)-1,1,1-trifluoro-3-phenylsulfanylbutan-2-yl]benzenesulfonamide
CID 135029593
4-methyl-N-[(1R,2S)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide
CID 101091316
4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide
CID 102373680
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
N-[(1R)-1-(4-hydroxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955383
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
methyl 7-[(4-methylphenyl)sulfonylamino]-7-phenylheptanoate
CID 139616765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide (CID 152503716) is 4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CCC(C)Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide?
The InChIKey is YDZYNYAXKWEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2S2/c1-19-13-16-23(17-14-19)29(26,27)25-24(21-9-5-3-6-10-21)18-15-20(2)28-22-11-7-4-8-12-22/h3-14,16-17,20,24-25H,15,18H2,1-2H3.
What are the key properties of 4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide?
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide has a molecular weight of 425.62 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide is sourced from PubChem (CID 152503716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).