4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide

C20H16Cl2N2O3S — CID 3951767

IUPAC4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1Cl
InChIInChI=1S/C20H16Cl2N2O3S/c1-13-7-9-16(12-18(13)22)23-20(25)14-8-10-17(21)19(11-14)28(26,27)24-15-5-3-2-4-6-15/h2-12,24H,1H3,(H,23,25)
InChIKeyOBSWQWROPNKQQZ-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.35
Rot. Bonds5

About 4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide

4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide (PubChem CID 3951767) has the molecular formula C20H16Cl2N2O3S and a molecular weight of 435.33 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
PubChem CID3951767
Molecular FormulaC20H16Cl2N2O3S
Molecular Weight435.33 g/mol
Exact Mass434.03
IUPAC Name4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1Cl
InChIInChI=1S/C20H16Cl2N2O3S/c1-13-7-9-16(12-18(13)22)23-20(25)14-8-10-17(21)19(11-14)28(26,27)24-15-5-3-2-4-6-15/h2-12,24H,1H3,(H,23,25)
InChIKeyOBSWQWROPNKQQZ-UHFFFAOYSA-N
XLogP5.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.33
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1252514
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide
CID 4320437

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide (CID 3951767) is 4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide?
The InChIKey is OBSWQWROPNKQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3S/c1-13-7-9-16(12-18(13)22)23-20(25)14-8-10-17(21)19(11-14)28(26,27)24-15-5-3-2-4-6-15/h2-12,24H,1H3,(H,23,25).
What are the key properties of 4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide?
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide has a molecular weight of 435.33 g/mol, XLogP of 5.35, 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-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 3951767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).