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

C14H10Cl4N2O3S — CID 28636075

IUPAC3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H10Cl4N2O3S/c1-24(22,23)20-12-3-2-7(4-10(12)17)14(21)19-13-6-9(16)8(15)5-11(13)18/h2-6,20H,1H3,(H,19,21)
InChIKeyIGBAHDUPCJOMDS-UHFFFAOYSA-N
MW428.12 g/mol
LogP4.92
Rot. Bonds4

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

3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 28636075) has the molecular formula C14H10Cl4N2O3S and a molecular weight of 428.12 g/mol. Its IUPAC name is 3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID28636075
Molecular FormulaC14H10Cl4N2O3S
Molecular Weight428.12 g/mol
Exact Mass425.92
IUPAC Name3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H10Cl4N2O3S/c1-24(22,23)20-12-3-2-7(4-10(12)17)14(21)19-13-6-9(16)8(15)5-11(13)18/h2-6,20H,1H3,(H,19,21)
InChIKeyIGBAHDUPCJOMDS-UHFFFAOYSA-N
XLogP4.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.12
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28636371
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
CID 92647267
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
CID 99949135
methyl 3-chloro-4-(methanesulfonamido)benzoate
CID 91671526
N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide
CID 46763289
butyl 4-[[3-chloro-4-(methanesulfonamido)benzoyl]amino]benzoate
CID 92686022
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide (CID 28636075) is 3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is IGBAHDUPCJOMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2O3S/c1-24(22,23)20-12-3-2-7(4-10(12)17)14(21)19-13-6-9(16)8(15)5-11(13)18/h2-6,20H,1H3,(H,19,21).
What are the key properties of 3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide?
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 428.12 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 28636075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).