N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide

C25H29NO2S — CID 71623225

IUPACN-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H29NO2S/c1-3-4-8-22-13-15-24(16-14-22)20-26(19-23-9-6-5-7-10-23)29(27,28)25-17-11-21(2)12-18-25/h5-7,9-18H,3-4,8,19-20H2,1-2H3
InChIKeyXTTWLISALSYABX-UHFFFAOYSA-N
MW407.58 g/mol
LogP5.73
Rot. Bonds9

About N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide

N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 71623225) has the molecular formula C25H29NO2S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID71623225
Molecular FormulaC25H29NO2S
Molecular Weight407.58 g/mol
Exact Mass407.19
IUPAC NameN-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H29NO2S/c1-3-4-8-22-13-15-24(16-14-22)20-26(19-23-9-6-5-7-10-23)29(27,28)25-17-11-21(2)12-18-25/h5-7,9-18H,3-4,8,19-20H2,1-2H3
InChIKeyXTTWLISALSYABX-UHFFFAOYSA-N
XLogP5.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide 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

Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-
CID 276460
Cyclotriazadisulfonamide
CID 466371
2-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonyl-1,3-dihydroisoindole
CID 24885251
N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668993
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
1-(4-Methylbenzenesulfonyl)-2-phenylaziridine
CID 576319
(1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine
CID 6612782
4-[2-[4-[(4-Methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide
CID 157010568
2-(4-Fluorophenyl)-1-tosylpyrrolidine
CID 17950211
5-methyl-2-(4-methylphenyl)sulfonylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclohexane]
CID 2729788
4-[2-[(4-Cyanophenyl)methylamino]ethyl]benzenesulfonamide
CID 168273662

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide (CID 71623225) is N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide is CCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is XTTWLISALSYABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2S/c1-3-4-8-22-13-15-24(16-14-22)20-26(19-23-9-6-5-7-10-23)29(27,28)25-17-11-21(2)12-18-25/h5-7,9-18H,3-4,8,19-20H2,1-2H3.
What are the key properties of N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide?
N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 407.58 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71623225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).