4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide

C21H19ClN2O3S — CID 46770830

IUPAC4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-8-10-19(15(2)12-14)23-21(25)16-9-11-20(18(22)13-16)24-28(26,27)17-6-4-3-5-7-17/h3-13,24H,1-2H3,(H,23,25)
InChIKeyNPRWTALUTHBDGB-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

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

4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide (PubChem CID 46770830) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
PubChem CID46770830
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-8-10-19(15(2)12-14)23-21(25)16-9-11-20(18(22)13-16)24-28(26,27)17-6-4-3-5-7-17/h3-13,24H,1-2H3,(H,23,25)
InChIKeyNPRWTALUTHBDGB-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 92678447
4-(benzenesulfonamido)-3-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 30396065
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 1020081
dimethyl 2-[[4-(benzenesulfonamido)-3-chlorobenzoyl]amino]benzene-1,4-dicarboxylate
CID 92674919
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
CID 92672200
N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062806
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46762958
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671799

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide (CID 46770830) is 4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(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-dimethylphenyl)benzamide?
The InChIKey is NPRWTALUTHBDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-8-10-19(15(2)12-14)23-21(25)16-9-11-20(18(22)13-16)24-28(26,27)17-6-4-3-5-7-17/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide?
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide has a molecular weight of 414.91 g/mol, XLogP of 5.01, 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-dimethylphenyl)benzamide is sourced from PubChem (CID 46770830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).