N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide

C9H8ClF2NO3S — CID 113218224

IUPACN-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)C(F)F)c1
InChIInChI=1S/C9H8ClF2NO3S/c1-17(15,16)5-2-3-6(10)7(4-5)13-9(14)8(11)12/h2-4,8H,1H3,(H,13,14)
InChIKeyJDACTISFZZSMDK-UHFFFAOYSA-N
MW283.68 g/mol
LogP1.95
Rot. Bonds3

About N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide

N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide (PubChem CID 113218224) has the molecular formula C9H8ClF2NO3S and a molecular weight of 283.68 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
PubChem CID113218224
Molecular FormulaC9H8ClF2NO3S
Molecular Weight283.68 g/mol
Exact Mass282.99
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)C(F)F)c1
InChIInChI=1S/C9H8ClF2NO3S/c1-17(15,16)5-2-3-6(10)7(4-5)13-9(14)8(11)12/h2-4,8H,1H3,(H,13,14)
InChIKeyJDACTISFZZSMDK-UHFFFAOYSA-N
XLogP1.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
CID 107902980
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 79025267
2-(aminomethyl)-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 65225878
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 54924414
N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide
CID 2354239
2-chloro-N-(1,1-difluoropropan-2-yl)-5-methylsulfonylaniline
CID 102868375
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728
N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9207037

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide (CID 113218224) is N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(F)F)c1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide?
The InChIKey is JDACTISFZZSMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO3S/c1-17(15,16)5-2-3-6(10)7(4-5)13-9(14)8(11)12/h2-4,8H,1H3,(H,13,14).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide?
N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide has a molecular weight of 283.68 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide is sourced from PubChem (CID 113218224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).