N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

C15H11Cl5N2O3S — CID 2233147

IUPACN-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl5N2O3S/c1-26(24,25)22(13-6-10(18)9(17)5-11(13)19)7-14(23)21-12-4-2-3-8(16)15(12)20/h2-6H,7H2,1H3,(H,21,23)
InChIKeyQCUJWNVEKOZUKW-UHFFFAOYSA-N
MW476.60 g/mol
LogP5.36
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (PubChem CID 2233147) has the molecular formula C15H11Cl5N2O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
PubChem CID2233147
Molecular FormulaC15H11Cl5N2O3S
Molecular Weight476.60 g/mol
Exact Mass473.89
IUPAC NameN-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl5N2O3S/c1-26(24,25)22(13-6-10(18)9(17)5-11(13)19)7-14(23)21-12-4-2-3-8(16)15(12)20/h2-6H,7H2,1H3,(H,21,23)
InChIKeyQCUJWNVEKOZUKW-UHFFFAOYSA-N
XLogP5.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 55.36
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

N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2223877
methyl 3-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 21371889
N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249861
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1321054
N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 126413055
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1322792
N-(2,3-dichlorophenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30270996
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1105251
N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 2290391
methyl 3-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 21372786

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (CID 2233147) is N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is QCUJWNVEKOZUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl5N2O3S/c1-26(24,25)22(13-6-10(18)9(17)5-11(13)19)7-14(23)21-12-4-2-3-8(16)15(12)20/h2-6H,7H2,1H3,(H,21,23).
What are the key properties of N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 476.60 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2233147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).