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

C21H18Cl2N2O3S — CID 126388299

IUPAC4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)cc1C
InChIInChI=1S/C21H18Cl2N2O3S/c1-13-3-7-18(11-14(13)2)25-29(27,28)20-12-15(4-10-19(20)23)21(26)24-17-8-5-16(22)6-9-17/h3-12,25H,1-2H3,(H,24,26)
InChIKeyCUFVOXOFULTMKT-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.66
Rot. Bonds5

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

4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 126388299) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID126388299
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC Name4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)cc1C
InChIInChI=1S/C21H18Cl2N2O3S/c1-13-3-7-18(11-14(13)2)25-29(27,28)20-12-15(4-10-19(20)23)21(26)24-17-8-5-16(22)6-9-17/h3-12,25H,1-2H3,(H,24,26)
InChIKeyCUFVOXOFULTMKT-UHFFFAOYSA-N
XLogP5.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.66
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-3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 2342892
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-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 46763644
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100520064
4-[[3-[(4-chlorophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1144112
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 1266797
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126413394

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide (CID 126388299) is 4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)cc1C.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is CUFVOXOFULTMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-13-3-7-18(11-14(13)2)25-29(27,28)20-12-15(4-10-19(20)23)21(26)24-17-8-5-16(22)6-9-17/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 449.36 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 126388299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).