2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide

C15H14ClFN2O3S — CID 1260653

IUPAC2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-23(21,22)19(12-7-8-14(17)13(16)9-12)10-15(20)18-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyHSUYKASDNIXIIU-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.88
Rot. Bonds5

About 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide (PubChem CID 1260653) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
PubChem CID1260653
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O3S/c1-23(21,22)19(12-7-8-14(17)13(16)9-12)10-15(20)18-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyHSUYKASDNIXIIU-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

N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 2239417
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 30391020
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 92686139
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(4-propan-2-ylphenyl)acetamide
CID 53281200
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(4-ethylphenyl)acetamide
CID 53281300
N-(3,5-dichlorophenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 9173126
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-propylacetamide
CID 2226135
2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 126415485
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide?
The IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide (CID 1260653) is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide?
The InChIKey is HSUYKASDNIXIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c1-23(21,22)19(12-7-8-14(17)13(16)9-12)10-15(20)18-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide?
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide 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-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide is sourced from PubChem (CID 1260653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).