4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide

C20H14Cl4N2O3S — CID 2342892

IUPAC4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1Cl
InChIInChI=1S/C20H14Cl4N2O3S/c1-11-2-8-16(23)19(18(11)24)25-20(27)12-3-9-15(22)17(10-12)30(28,29)26-14-6-4-13(21)5-7-14/h2-10,26H,1H3,(H,25,27)
InChIKeyZDVVNXFXPCVSBC-UHFFFAOYSA-N
MW504.22 g/mol
LogP6.66
Rot. Bonds5

About 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide

4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide (PubChem CID 2342892) has the molecular formula C20H14Cl4N2O3S and a molecular weight of 504.22 g/mol. Its IUPAC name is 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide
PubChem CID2342892
Molecular FormulaC20H14Cl4N2O3S
Molecular Weight504.22 g/mol
Exact Mass501.95
IUPAC Name4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1Cl
InChIInChI=1S/C20H14Cl4N2O3S/c1-11-2-8-16(23)19(18(11)24)25-20(27)12-3-9-15(22)17(10-12)30(28,29)26-14-6-4-13(21)5-7-14/h2-10,26H,1H3,(H,25,27)
InChIKeyZDVVNXFXPCVSBC-UHFFFAOYSA-N
XLogP6.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.22
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
4-[[3-[(4-chlorophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1144112
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2380796
4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1253800
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 78838843
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide (CID 2342892) is 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide is Cc1ccc(Cl)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1Cl.
What is the InChIKey of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide?
The InChIKey is ZDVVNXFXPCVSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl4N2O3S/c1-11-2-8-16(23)19(18(11)24)25-20(27)12-3-9-15(22)17(10-12)30(28,29)26-14-6-4-13(21)5-7-14/h2-10,26H,1H3,(H,25,27).
What are the key properties of 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide?
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide has a molecular weight of 504.22 g/mol, XLogP of 6.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide is sourced from PubChem (CID 2342892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).