4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide

C23H23ClN2O3S2 — CID 30379122

IUPAC4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide
SMILESCCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C23H23ClN2O3S2/c1-4-30-21-8-6-5-7-20(21)25-23(27)17-10-12-19(24)22(14-17)31(28,29)26-18-11-9-15(2)16(3)13-18/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyZAYINCNGZFXFBC-UHFFFAOYSA-N
MW475.04 g/mol
LogP6.12
Rot. Bonds7

About 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide (PubChem CID 30379122) has the molecular formula C23H23ClN2O3S2 and a molecular weight of 475.04 g/mol. Its IUPAC name is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide
PubChem CID30379122
Molecular FormulaC23H23ClN2O3S2
Molecular Weight475.04 g/mol
Exact Mass474.08
IUPAC Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide
SMILESCCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C23H23ClN2O3S2/c1-4-30-21-8-6-5-7-20(21)25-23(27)17-10-12-19(24)22(14-17)31(28,29)26-18-11-9-15(2)16(3)13-18/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyZAYINCNGZFXFBC-UHFFFAOYSA-N
XLogP6.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126417075
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 94012391
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
4-chloro-3-(phenylsulfamoyl)-N-(2-phenylsulfanylphenyl)benzamide
CID 126416748
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126416752
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide?
The IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide (CID 30379122) is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide is CCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide?
The InChIKey is ZAYINCNGZFXFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S2/c1-4-30-21-8-6-5-7-20(21)25-23(27)17-10-12-19(24)22(14-17)31(28,29)26-18-11-9-15(2)16(3)13-18/h5-14,26H,4H2,1-3H3,(H,25,27).
What are the key properties of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide?
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide has a molecular weight of 475.04 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide is sourced from PubChem (CID 30379122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).