N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide

C12H8F3NO2S — CID 8500597

IUPACN-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1cccc(F)c1
InChIInChI=1S/C12H8F3NO2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-7-9(14)4-5-11(12)15/h1-7,16H
InChIKeyGLQZOTWIFMRYCM-UHFFFAOYSA-N
MW287.26 g/mol
LogP2.90
Rot. Bonds3

About N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide

N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide (PubChem CID 8500597) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
PubChem CID8500597
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC NameN-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1cccc(F)c1
InChIInChI=1S/C12H8F3NO2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-7-9(14)4-5-11(12)15/h1-7,16H
InChIKeyGLQZOTWIFMRYCM-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
N-(2,5-difluorophenyl)-3-hydroxybenzenesulfonamide
CID 81258697
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
2-chloro-N-(2,5-difluorophenyl)pyridine-4-sulfonamide
CID 54895626
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598
3-fluoro-4-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 63190334
N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide
CID 29008434
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
CID 5184954
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide (CID 8500597) is N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(F)ccc1F)c1cccc(F)c1.
What is the InChIKey of N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide?
The InChIKey is GLQZOTWIFMRYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c13-8-2-1-3-10(6-8)19(17,18)16-12-7-9(14)4-5-11(12)15/h1-7,16H.
What are the key properties of N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide?
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide has a molecular weight of 287.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 8500597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).