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

C9H10ClFN2O3S — CID 967375

IUPAC2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFN2O3S/c1-17(15,16)13(5-9(12)14)6-2-3-8(11)7(10)4-6/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyVRWOOTPETHWKHR-UHFFFAOYSA-N
MW280.71 g/mol
LogP0.73
Rot. Bonds4

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

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 967375) has the molecular formula C9H10ClFN2O3S and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID967375
Molecular FormulaC9H10ClFN2O3S
Molecular Weight280.71 g/mol
Exact Mass280.01
IUPAC Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFN2O3S/c1-17(15,16)13(5-9(12)14)6-2-3-8(11)7(10)4-6/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyVRWOOTPETHWKHR-UHFFFAOYSA-N
XLogP0.73
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(5-Chloro-2-methylphenyl)methylsulfonamido)-N-(2,6-difluorophenyl)acetamide
CID 2210370
2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1364364
2-[N-(2-chlorophenyl)methanesulfonamido]-N-phenylacetamide
CID 4384110
N~2~-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 4876025
N-(4-Chloro-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846651
2-(Cyclohexyl-methanesulfonyl-amino)-N-(2,4-difluoro-phenyl)-acetamide
CID 954246
N~2~-cyclohexyl-N~1~-(2-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 964121
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
n-[2-(Azepan-1-yl)-2-oxoethyl]-n-(4-chlorophenyl)methanesulfonamide
CID 881610
N~2~-(3-chloro-4-fluorophenyl)-N~1~,N~1~-dimethyl-N~2~-(methylsulfonyl)glycinamide
CID 973962
N-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-N-cyclohexyl-methanesulfonamide
CID 1021986
N~2~-cyclohexyl-N~1~-(3,4-dichlorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 1293322

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide (CID 967375) is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(N)=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is VRWOOTPETHWKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O3S/c1-17(15,16)13(5-9(12)14)6-2-3-8(11)7(10)4-6/h2-4H,5H2,1H3,(H2,12,14).
What are the key properties of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide?
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 280.71 g/mol, XLogP of 0.73, 4 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)acetamide is sourced from PubChem (CID 967375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).