2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride

C13H8F3NO3S — CID 116814244

IUPAC2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1cccc(F)c1F
InChIInChI=1S/C13H8F3NO3S/c14-9-5-3-4-8(12(9)15)13(18)17-10-6-1-2-7-11(10)21(16,19)20/h1-7H,(H,17,18)
InChIKeyCNUHOJOHJNTHAA-UHFFFAOYSA-N
MW315.27 g/mol
LogP2.88
Rot. Bonds3

About 2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride

2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride (PubChem CID 116814244) has the molecular formula C13H8F3NO3S and a molecular weight of 315.27 g/mol. Its IUPAC name is 2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride
PubChem CID116814244
Molecular FormulaC13H8F3NO3S
Molecular Weight315.27 g/mol
Exact Mass315.02
IUPAC Name2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1cccc(F)c1F
InChIInChI=1S/C13H8F3NO3S/c14-9-5-3-4-8(12(9)15)13(18)17-10-6-1-2-7-11(10)21(16,19)20/h1-7H,(H,17,18)
InChIKeyCNUHOJOHJNTHAA-UHFFFAOYSA-N
XLogP2.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116813961
2-fluoro-N-[2-(methylsulfamoyl)phenyl]benzamide
CID 61042650
2-[(5-fluoro-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814212
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116813960
2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride
CID 116814012
2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814035
2-[(5-bromo-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814013
N-(2,3-difluorophenyl)-2,3-dihydroxybenzamide
CID 114344008
2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride
CID 116814222
2-fluoro-N-(2-morpholin-4-ylsulfonylphenyl)benzamide
CID 90451563
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride (CID 116814244) is 2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride is O=C(Nc1ccccc1S(=O)(=O)F)c1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride?
The InChIKey is CNUHOJOHJNTHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3S/c14-9-5-3-4-8(12(9)15)13(18)17-10-6-1-2-7-11(10)21(16,19)20/h1-7H,(H,17,18).
What are the key properties of 2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride?
2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride has a molecular weight of 315.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).