2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide

C10H7F3N2O3S — CID 168523787

IUPAC2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(F)cc1S(=O)(=O)C(F)F
InChIInChI=1S/C10H7F3N2O3S/c11-6-1-2-7(15-9(16)3-4-14)8(5-6)19(17,18)10(12)13/h1-2,5,10H,3H2,(H,15,16)
InChIKeyABLSPWQPVBWGTL-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.67
Rot. Bonds4

About 2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide

2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide (PubChem CID 168523787) has the molecular formula C10H7F3N2O3S and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide
PubChem CID168523787
Molecular FormulaC10H7F3N2O3S
Molecular Weight292.24 g/mol
Exact Mass292.01
IUPAC Name2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(F)cc1S(=O)(=O)C(F)F
InChIInChI=1S/C10H7F3N2O3S/c11-6-1-2-7(15-9(16)3-4-14)8(5-6)19(17,18)10(12)13/h1-2,5,10H,3H2,(H,15,16)
InChIKeyABLSPWQPVBWGTL-UHFFFAOYSA-N
XLogP1.67
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(difluoromethylsulfonyl)-4-fluoroanilino]ethene-1,1,2-tricarbonitrile
CID 168610201
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide
CID 168523802
4-[(2-cyanoacetyl)amino]-3-fluorobenzoic acid
CID 168520110
2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide
CID 168522226
N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
CID 108922965
2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide
CID 168520371
2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168520629
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
4-[(2-cyanoacetyl)amino]-3-methylbenzenesulfonic acid
CID 168524082

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide (CID 168523787) is 2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide is N#CCC(=O)Nc1ccc(F)cc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide?
The InChIKey is ABLSPWQPVBWGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3S/c11-6-1-2-7(15-9(16)3-4-14)8(5-6)19(17,18)10(12)13/h1-2,5,10H,3H2,(H,15,16).
What are the key properties of 2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide?
2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide has a molecular weight of 292.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide is sourced from PubChem (CID 168523787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).