N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide

C15H12ClF3N2O3S — CID 113157653

IUPACN-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C15H12ClF3N2O3S/c1-25(23,24)21(15-12(18)3-2-4-13(15)19)8-14(22)20-9-5-6-11(17)10(16)7-9/h2-7H,8H2,1H3,(H,20,22)
InChIKeyXMBOQJLACZZVAC-UHFFFAOYSA-N
MW392.79 g/mol
LogP3.16
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide (PubChem CID 113157653) has the molecular formula C15H12ClF3N2O3S and a molecular weight of 392.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
PubChem CID113157653
Molecular FormulaC15H12ClF3N2O3S
Molecular Weight392.79 g/mol
Exact Mass392.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1c(F)cccc1F
InChIInChI=1S/C15H12ClF3N2O3S/c1-25(23,24)21(15-12(18)3-2-4-13(15)19)8-14(22)20-9-5-6-11(17)10(16)7-9/h2-7H,8H2,1H3,(H,20,22)
InChIKeyXMBOQJLACZZVAC-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 53.16
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
N-(1,3-benzodioxol-5-yl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157671
N-(3-cyanophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157677
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 2175101
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113154460
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113152949
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113157658
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644
N-(3-chloro-4-fluorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30267320
2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180038
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034449

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide (CID 113157653) is N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1c(F)cccc1F.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is XMBOQJLACZZVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3S/c1-25(23,24)21(15-12(18)3-2-4-13(15)19)8-14(22)20-9-5-6-11(17)10(16)7-9/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 392.79 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113157653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).