2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide

C15H13Cl2FN2O3S — CID 1315632

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O3S/c1-24(22,23)20(12-6-7-13(16)14(17)8-12)9-15(21)19-11-4-2-10(18)3-5-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyWHBWDUIZAYNSMH-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.54
Rot. Bonds5

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 1315632) has the molecular formula C15H13Cl2FN2O3S and a molecular weight of 391.25 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID1315632
Molecular FormulaC15H13Cl2FN2O3S
Molecular Weight391.25 g/mol
Exact Mass390.00
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O3S/c1-24(22,23)20(12-6-7-13(16)14(17)8-12)9-15(21)19-11-4-2-10(18)3-5-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyWHBWDUIZAYNSMH-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 2210102
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2282293
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 1295950
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113156578
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(4-methylphenyl)acetamide
CID 1372309

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide (CID 1315632) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is WHBWDUIZAYNSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3S/c1-24(22,23)20(12-6-7-13(16)14(17)8-12)9-15(21)19-11-4-2-10(18)3-5-11/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 391.25 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1315632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).