2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide

C15H14ClFN2O3S — CID 1318710

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-23(21,22)19(14-7-2-4-11(16)8-14)10-15(20)18-13-6-3-5-12(17)9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyZMOPZYYRSYXWBV-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.88
Rot. Bonds5

About 2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide

2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide (PubChem CID 1318710) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
PubChem CID1318710
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-23(21,22)19(14-7-2-4-11(16)8-14)10-15(20)18-13-6-3-5-12(17)9-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyZMOPZYYRSYXWBV-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 25486951
3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29331543
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1322792
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156070
2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113155767
N-(3-chlorophenyl)-2-(N-ethyl-3-fluoroanilino)acetamide
CID 52686374
N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157541
2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 3139153
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide
CID 35230459

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide (CID 1318710) is 2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide?
The InChIKey is ZMOPZYYRSYXWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c1-23(21,22)19(14-7-2-4-11(16)8-14)10-15(20)18-13-6-3-5-12(17)9-13/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide?
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide has a molecular weight of 356.81 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 1318710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).