N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide

C14H9Cl4NO3S — CID 2742129

IUPACN-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide
SMILESCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H9Cl4NO3S/c1-7(20)8-2-3-9(15)13(4-8)19-23(21,22)14-6-11(17)10(16)5-12(14)18/h2-6,19H,1H3
InChIKeyAGANOYHGGFJXIW-UHFFFAOYSA-N
MW413.11 g/mol
LogP5.30
Rot. Bonds4

About N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide

N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide (PubChem CID 2742129) has the molecular formula C14H9Cl4NO3S and a molecular weight of 413.11 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide
PubChem CID2742129
Molecular FormulaC14H9Cl4NO3S
Molecular Weight413.11 g/mol
Exact Mass410.91
IUPAC NameN-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide
SMILESCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H9Cl4NO3S/c1-7(20)8-2-3-9(15)13(4-8)19-23(21,22)14-6-11(17)10(16)5-12(14)18/h2-6,19H,1H3
InChIKeyAGANOYHGGFJXIW-UHFFFAOYSA-N
XLogP5.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.11
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene
CID 18615256
4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60531609
4-[(2,4,5-trichlorophenyl)sulfonylamino]benzoate
CID 7477012
4-chloro-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 62999668
N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 138998155
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
CID 8500236
N-(5-acetyl-2-chlorophenyl)sulfonylpropanamide
CID 54295056
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43235977
2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 22773572
4-chloro-3-(sulfamoylamino)benzamide
CID 112573335
1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone
CID 82535645

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide (CID 2742129) is N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide is CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide?
The InChIKey is AGANOYHGGFJXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4NO3S/c1-7(20)8-2-3-9(15)13(4-8)19-23(21,22)14-6-11(17)10(16)5-12(14)18/h2-6,19H,1H3.
What are the key properties of N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide?
N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide has a molecular weight of 413.11 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide is sourced from PubChem (CID 2742129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).