4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide

C14H10F3NO3S — CID 8780386

IUPAC4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H10F3NO3S/c15-11-3-1-2-4-12(11)18-13(19)9-5-7-10(8-6-9)22(20,21)14(16)17/h1-8,14H,(H,18,19)
InChIKeyYGVTUZAFLAEZPL-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.07
Rot. Bonds4

About 4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide

4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide (PubChem CID 8780386) has the molecular formula C14H10F3NO3S and a molecular weight of 329.30 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
PubChem CID8780386
Molecular FormulaC14H10F3NO3S
Molecular Weight329.30 g/mol
Exact Mass329.03
IUPAC Name4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H10F3NO3S/c15-11-3-1-2-4-12(11)18-13(19)9-5-7-10(8-6-9)22(20,21)14(16)17/h1-8,14H,(H,18,19)
InChIKeyYGVTUZAFLAEZPL-UHFFFAOYSA-N
XLogP3.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8713756
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide
CID 24514279
4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 86821736
4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905324
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 109061758
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246
4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide
CID 166369016
N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314164
N-[2-(difluoromethoxy)phenyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 2353818

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide (CID 8780386) is 4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide is O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide?
The InChIKey is YGVTUZAFLAEZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3S/c15-11-3-1-2-4-12(11)18-13(19)9-5-7-10(8-6-9)22(20,21)14(16)17/h1-8,14H,(H,18,19).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide?
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide has a molecular weight of 329.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 8780386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).