3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide

C23H23ClN2O3S — CID 46762958

IUPAC3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C23H23ClN2O3S/c1-4-17-7-5-6-16(3)22(17)25-23(27)18-10-13-21(20(24)14-18)26-30(28,29)19-11-8-15(2)9-12-19/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyAQCHFCIHGVOQEP-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.57
Rot. Bonds6

About 3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide

3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 46762958) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID46762958
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C23H23ClN2O3S/c1-4-17-7-5-6-16(3)22(17)25-23(27)18-10-13-21(20(24)14-18)26-30(28,29)19-11-8-15(2)9-12-19/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyAQCHFCIHGVOQEP-UHFFFAOYSA-N
XLogP5.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 38015649
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782
N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062806
4-(benzenesulfonamido)-3-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 92678447
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99954541
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 112770779
methyl 2-chloro-5-[[3-chloro-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 46770674

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 46762958) is 3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide is CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is AQCHFCIHGVOQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-4-17-7-5-6-16(3)22(17)25-23(27)18-10-13-21(20(24)14-18)26-30(28,29)19-11-8-15(2)9-12-19/h5-14,26H,4H2,1-3H3,(H,25,27).
What are the key properties of 3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 442.97 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethyl-6-methylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46762958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).