N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide

C24H27NO2S — CID 71623178

IUPACN-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide
SMILESCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27NO2S/c1-3-7-21-12-14-23(15-13-21)19-25(18-22-8-5-4-6-9-22)28(26,27)24-16-10-20(2)11-17-24/h4-6,8-17H,3,7,18-19H2,1-2H3
InChIKeyQXIPQXZCVLXJCH-UHFFFAOYSA-N
MW393.55 g/mol
LogP5.34
Rot. Bonds8

About N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide

N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide (PubChem CID 71623178) has the molecular formula C24H27NO2S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide
PubChem CID71623178
Molecular FormulaC24H27NO2S
Molecular Weight393.55 g/mol
Exact Mass393.18
IUPAC NameN-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide
SMILESCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27NO2S/c1-3-7-21-12-14-23(15-13-21)19-25(18-22-8-5-4-6-9-22)28(26,27)24-16-10-20(2)11-17-24/h4-6,8-17H,3,7,18-19H2,1-2H3
InChIKeyQXIPQXZCVLXJCH-UHFFFAOYSA-N
XLogP5.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.55
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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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-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide (CID 71623178) is N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide is CCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide?
The InChIKey is QXIPQXZCVLXJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2S/c1-3-7-21-12-14-23(15-13-21)19-25(18-22-8-5-4-6-9-22)28(26,27)24-16-10-20(2)11-17-24/h4-6,8-17H,3,7,18-19H2,1-2H3.
What are the key properties of N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide?
N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide has a molecular weight of 393.55 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 71623178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).