2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide

C14H10F2N4O2S — CID 75519496

IUPAC2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cc(F)ccc1F
InChIInChI=1S/C14H10F2N4O2S/c15-10-6-7-12(16)13(8-10)23(21,22)19-14-17-9-20(18-14)11-4-2-1-3-5-11/h1-9H,(H,18,19)
InChIKeyYTSAMDZHYVAOQM-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.35
Rot. Bonds4

About 2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide

2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 75519496) has the molecular formula C14H10F2N4O2S and a molecular weight of 336.32 g/mol. Its IUPAC name is 2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID75519496
Molecular FormulaC14H10F2N4O2S
Molecular Weight336.32 g/mol
Exact Mass336.05
IUPAC Name2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cc(F)ccc1F
InChIInChI=1S/C14H10F2N4O2S/c15-10-6-7-12(16)13(8-10)23(21,22)19-14-17-9-20(18-14)11-4-2-1-3-5-11/h1-9H,(H,18,19)
InChIKeyYTSAMDZHYVAOQM-UHFFFAOYSA-N
XLogP2.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 75519496) is 2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is YTSAMDZHYVAOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2S/c15-10-6-7-12(16)13(8-10)23(21,22)19-14-17-9-20(18-14)11-4-2-1-3-5-11/h1-9H,(H,18,19).
What are the key properties of 2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide?
2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 336.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 75519496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).