N-[4-(difluoromethylsulfonyl)phenyl]acetamide

C9H9F2NO3S — CID 2412593

IUPACN-[4-(difluoromethylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C9H9F2NO3S/c1-6(13)12-7-2-4-8(5-3-7)16(14,15)9(10)11/h2-5,9H,1H3,(H,12,13)
InChIKeyNYRRTVPSLADNRU-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.64
Rot. Bonds3

About N-[4-(difluoromethylsulfonyl)phenyl]acetamide

N-[4-(difluoromethylsulfonyl)phenyl]acetamide (PubChem CID 2412593) has the molecular formula C9H9F2NO3S and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]acetamide
PubChem CID2412593
Molecular FormulaC9H9F2NO3S
Molecular Weight249.24 g/mol
Exact Mass249.03
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C9H9F2NO3S/c1-6(13)12-7-2-4-8(5-3-7)16(14,15)9(10)11/h2-5,9H,1H3,(H,12,13)
InChIKeyNYRRTVPSLADNRU-UHFFFAOYSA-N
XLogP1.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N4-Acetylsulfanilamide
CID 8482
Acedapsone
CID 6477
Monoacetyldapsone
CID 11257
N-Acetylsulfanilyl chloride
CID 8481
4'-Mercaptoacetanilide
CID 70777
2-cyano-N-(4-sulfamoylphenyl)acetamide
CID 2357187
Benzenesulfonyl fluoride, 4-(acetylamino)-
CID 67608
2,2,2-trifluoro-N-(4-sulfamoylphenyl)acetamide
CID 235259
N-[4-(hydroxysulfamoyl)phenyl]acetamide
CID 283995
N-(4-sulfamoylphenyl)propanamide
CID 847760
2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide
CID 2725651
N4-Acetylsulfaguanidine
CID 87925

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]acetamide (CID 2412593) is N-[4-(difluoromethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The InChIKey is NYRRTVPSLADNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3S/c1-6(13)12-7-2-4-8(5-3-7)16(14,15)9(10)11/h2-5,9H,1H3,(H,12,13).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
N-[4-(difluoromethylsulfonyl)phenyl]acetamide has a molecular weight of 249.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 2412593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).