4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide

C20H15Cl3N2O3S — CID 4213074

IUPAC4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C20H15Cl3N2O3S/c1-12-4-2-3-5-18(12)25-29(27,28)19-8-13(6-7-17(19)23)20(26)24-16-10-14(21)9-15(22)11-16/h2-11,25H,1H3,(H,24,26)
InChIKeyKKOOQNQEDNVJMK-UHFFFAOYSA-N
MW469.78 g/mol
LogP6.01
Rot. Bonds5

About 4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide

4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 4213074) has the molecular formula C20H15Cl3N2O3S and a molecular weight of 469.78 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID4213074
Molecular FormulaC20H15Cl3N2O3S
Molecular Weight469.78 g/mol
Exact Mass467.99
IUPAC Name4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C20H15Cl3N2O3S/c1-12-4-2-3-5-18(12)25-29(27,28)19-8-13(6-7-17(19)23)20(26)24-16-10-14(21)9-15(22)11-16/h2-11,25H,1H3,(H,24,26)
InChIKeyKKOOQNQEDNVJMK-UHFFFAOYSA-N
XLogP6.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.78
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503088
methyl 3-[[4-chloro-3-[(2-methylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 126412706
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
CID 2910523
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 126388612
4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3578493
4-chloro-3-[(2-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 80694028
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 25247329
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 126412405
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 2226277

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 4213074) is 4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is KKOOQNQEDNVJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2O3S/c1-12-4-2-3-5-18(12)25-29(27,28)19-8-13(6-7-17(19)23)20(26)24-16-10-14(21)9-15(22)11-16/h2-11,25H,1H3,(H,24,26).
What are the key properties of 4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide?
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 469.78 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4213074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).