2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide

C13H10F3NO2S — CID 19680619

IUPAC2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1cc(F)ccc1F
InChIInChI=1S/C13H10F3NO2S/c14-10-3-1-9(2-4-10)8-17-20(18,19)13-7-11(15)5-6-12(13)16/h1-7,17H,8H2
InChIKeyXKMJCBCCXRJLDB-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.58
Rot. Bonds4

About 2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide

2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 19680619) has the molecular formula C13H10F3NO2S and a molecular weight of 301.29 g/mol. Its IUPAC name is 2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID19680619
Molecular FormulaC13H10F3NO2S
Molecular Weight301.29 g/mol
Exact Mass301.04
IUPAC Name2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1cc(F)ccc1F
InChIInChI=1S/C13H10F3NO2S/c14-10-3-1-9(2-4-10)8-17-20(18,19)13-7-11(15)5-6-12(13)16/h1-7,17H,8H2
InChIKeyXKMJCBCCXRJLDB-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386078
2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205165
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2,5-difluorobenzenesulfonamide
CID 55697946
5-amino-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229561
2,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883734
2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 27305807
4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521819
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
CID 110823533
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 19680619) is 2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is XKMJCBCCXRJLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S/c14-10-3-1-9(2-4-10)8-17-20(18,19)13-7-11(15)5-6-12(13)16/h1-7,17H,8H2.
What are the key properties of 2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 301.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 19680619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).