2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide

C11H14ClFN2O3S — CID 973962

IUPAC2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H14ClFN2O3S/c1-14(2)11(16)7-15(19(3,17)18)8-4-5-10(13)9(12)6-8/h4-6H,7H2,1-3H3
InChIKeyZIWKLLLJMCWKCO-UHFFFAOYSA-N
MW308.76 g/mol
LogP1.33
Rot. Bonds4

About 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide (PubChem CID 973962) has the molecular formula C11H14ClFN2O3S and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide
PubChem CID973962
Molecular FormulaC11H14ClFN2O3S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H14ClFN2O3S/c1-14(2)11(16)7-15(19(3,17)18)8-4-5-10(13)9(12)6-8/h4-6H,7H2,1-3H3
InChIKeyZIWKLLLJMCWKCO-UHFFFAOYSA-N
XLogP1.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1364364
2-[N-(2-chlorophenyl)methanesulfonamido]-N-phenylacetamide
CID 4384110
N-(4-Chloro-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846651
N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 662555
n-[2-(Azepan-1-yl)-2-oxoethyl]-n-(4-chlorophenyl)methanesulfonamide
CID 881610
N~2~-(3-chloro-4-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 967375
N-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-N-cyclohexyl-methanesulfonamide
CID 1021986
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 1304744
N-(3-chlorophenyl)-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}methanesulfonamide
CID 2290501
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chlorophenyl)methanesulfonamide
CID 2897602
N-(2-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 875483
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 900499

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide (CID 973962) is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide is CN(C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide?
The InChIKey is ZIWKLLLJMCWKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O3S/c1-14(2)11(16)7-15(19(3,17)18)8-4-5-10(13)9(12)6-8/h4-6H,7H2,1-3H3.
What are the key properties of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide?
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N,N-dimethylacetamide has a molecular weight of 308.76 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 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,N-dimethylacetamide is sourced from PubChem (CID 973962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).