N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide

C21H20ClNO2S — CID 3637157

IUPACN-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C21H20ClNO2S/c1-16-11-12-21(17(2)13-16)23(15-18-7-6-8-19(22)14-18)26(24,25)20-9-4-3-5-10-20/h3-14H,15H2,1-2H3
InChIKeyZZBDHKUJWKSWNW-UHFFFAOYSA-N
MW385.92 g/mol
LogP5.35
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide

N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide (PubChem CID 3637157) has the molecular formula C21H20ClNO2S and a molecular weight of 385.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
PubChem CID3637157
Molecular FormulaC21H20ClNO2S
Molecular Weight385.92 g/mol
Exact Mass385.09
IUPAC NameN-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C21H20ClNO2S/c1-16-11-12-21(17(2)13-16)23(15-18-7-6-8-19(22)14-18)26(24,25)20-9-4-3-5-10-20/h3-14H,15H2,1-2H3
InChIKeyZZBDHKUJWKSWNW-UHFFFAOYSA-N
XLogP5.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.92
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 3636771
(2S)-2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]-[(3-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 100713948
N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 126385344
(2R)-2-[(3-chlorophenyl)methyl-[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100702209
N-[4-[4-[benzenesulfonyl(benzyl)amino]-3-methylphenyl]-2-methylphenyl]-N-benzylbenzenesulfonamide
CID 118986827
(2R)-2-[(3-chlorophenyl)methyl-[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 125069604
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-benzyl-N-methylacetamide
CID 30169202
N-[(3-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 3887779
N-butan-2-yl-2-[(3-chlorophenyl)methyl-[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanamide
CID 133221223
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N,N-dibenzylacetamide
CID 30170000
2-[[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]-[(3-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 133204877
(2R)-2-[(3-chlorophenyl)methyl-[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 125093344

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide (CID 3637157) is N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide is Cc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide?
The InChIKey is ZZBDHKUJWKSWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2S/c1-16-11-12-21(17(2)13-16)23(15-18-7-6-8-19(22)14-18)26(24,25)20-9-4-3-5-10-20/h3-14H,15H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide?
N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide has a molecular weight of 385.92 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 3637157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).