2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide

C10H7F2N3O2S — CID 6465175

IUPAC2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1cc(F)ccc1F
InChIInChI=1S/C10H7F2N3O2S/c11-7-2-3-8(12)9(6-7)18(16,17)15-10-13-4-1-5-14-10/h1-6H,(H,13,14,15)
InChIKeyWKZNVXHNFSHZIG-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.56
Rot. Bonds3

About 2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide

2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 6465175) has the molecular formula C10H7F2N3O2S and a molecular weight of 271.25 g/mol. Its IUPAC name is 2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID6465175
Molecular FormulaC10H7F2N3O2S
Molecular Weight271.25 g/mol
Exact Mass271.02
IUPAC Name2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1cc(F)ccc1F
InChIInChI=1S/C10H7F2N3O2S/c11-7-2-3-8(12)9(6-7)18(16,17)15-10-13-4-1-5-14-10/h1-6H,(H,13,14,15)
InChIKeyWKZNVXHNFSHZIG-UHFFFAOYSA-N
XLogP1.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 60844745
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
2-(3-aminoprop-1-ynyl)-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60845361
2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028842
2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 175775889
N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
CID 122302105
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide (CID 6465175) is 2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ncccn1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is WKZNVXHNFSHZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2S/c11-7-2-3-8(12)9(6-7)18(16,17)15-10-13-4-1-5-14-10/h1-6H,(H,13,14,15).
What are the key properties of 2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide?
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 271.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 6465175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).