5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide

C20H16Cl3N3O3S — CID 125464743

IUPAC5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(Nc2ccccc2)cc1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl3N3O3S/c1-30(28,29)26-18-8-7-13(24-12-5-3-2-4-6-12)9-15(18)20(27)25-14-10-16(21)19(23)17(22)11-14/h2-11,24,26H,1H3,(H,25,27)
InChIKeyKAJOUYFACCBWGQ-UHFFFAOYSA-N
MW484.79 g/mol
LogP6.01
Rot. Bonds6

About 5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide

5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide (PubChem CID 125464743) has the molecular formula C20H16Cl3N3O3S and a molecular weight of 484.79 g/mol. Its IUPAC name is 5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide
PubChem CID125464743
Molecular FormulaC20H16Cl3N3O3S
Molecular Weight484.79 g/mol
Exact Mass483.00
IUPAC Name5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(Nc2ccccc2)cc1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl3N3O3S/c1-30(28,29)26-18-8-7-13(24-12-5-3-2-4-6-12)9-15(18)20(27)25-14-10-16(21)19(23)17(22)11-14/h2-11,24,26H,1H3,(H,25,27)
InChIKeyKAJOUYFACCBWGQ-UHFFFAOYSA-N
XLogP6.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.79
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(3-hydroxyphenoxy)-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide
CID 130311644
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
5-chloro-2-(methanesulfonamido)-N-(3-methylphenyl)benzamide
CID 49191937
N-[4-[[3-chloro-4-(methanesulfonamido)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide
CID 15955499
5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
CID 60606334
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide
CID 106853250
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 56515740
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176

Frequently Asked Questions

What is the IUPAC name of 5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide?
The IUPAC name of 5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide (CID 125464743) is 5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide is CS(=O)(=O)Nc1ccc(Nc2ccccc2)cc1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide?
The InChIKey is KAJOUYFACCBWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3O3S/c1-30(28,29)26-18-8-7-13(24-12-5-3-2-4-6-12)9-15(18)20(27)25-14-10-16(21)19(23)17(22)11-14/h2-11,24,26H,1H3,(H,25,27).
What are the key properties of 5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide?
5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide has a molecular weight of 484.79 g/mol, XLogP of 6.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2-(methanesulfonamido)-N-(3,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 125464743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).