4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide

C22H21ClN2O3S — CID 92678447

IUPAC4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1
InChIInChI=1S/C22H21ClN2O3S/c1-14-11-15(2)21(16(3)12-14)24-22(26)17-9-10-20(19(23)13-17)25-29(27,28)18-7-5-4-6-8-18/h4-13,25H,1-3H3,(H,24,26)
InChIKeyBZCAATWEOWICLO-UHFFFAOYSA-N
MW428.94 g/mol
LogP5.32
Rot. Bonds5

About 4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide

4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 92678447) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID92678447
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1
InChIInChI=1S/C22H21ClN2O3S/c1-14-11-15(2)21(16(3)12-14)24-22(26)17-9-10-20(19(23)13-17)25-29(27,28)18-7-5-4-6-8-18/h4-13,25H,1-3H3,(H,24,26)
InChIKeyBZCAATWEOWICLO-UHFFFAOYSA-N
XLogP5.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.94
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 1020081
3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46762958
4-(benzenesulfonamido)-3-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 30396065
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 38015649
N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062806
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate
CID 92674919
4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
CID 92672200
4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
CID 100786334
4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
CID 99953455
4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide
CID 93487479

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide (CID 92678447) is 4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1.
What is the InChIKey of 4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is BZCAATWEOWICLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-14-11-15(2)21(16(3)12-14)24-22(26)17-9-10-20(19(23)13-17)25-29(27,28)18-7-5-4-6-8-18/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide?
4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 428.94 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 92678447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).