N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide

C14H10F2N4O2S — CID 141437573

IUPACN-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C14H10F2N4O2S/c15-10-7-11(16)9-12(8-10)18-23(21,22)14-3-1-13(2-4-14)20-6-5-17-19-20/h1-9,18H
InChIKeyCAJCMVNJZOIIJT-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.35
Rot. Bonds4

About N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide

N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide (PubChem CID 141437573) has the molecular formula C14H10F2N4O2S and a molecular weight of 336.32 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide
PubChem CID141437573
Molecular FormulaC14H10F2N4O2S
Molecular Weight336.32 g/mol
Exact Mass336.05
IUPAC NameN-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C14H10F2N4O2S/c15-10-7-11(16)9-12(8-10)18-23(21,22)14-3-1-13(2-4-14)20-6-5-17-19-20/h1-9,18H
InChIKeyCAJCMVNJZOIIJT-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 N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide (CID 141437573) is N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide?
The InChIKey is CAJCMVNJZOIIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2S/c15-10-7-11(16)9-12(8-10)18-23(21,22)14-3-1-13(2-4-14)20-6-5-17-19-20/h1-9,18H.
What are the key properties of N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide?
N-(3,5-difluorophenyl)-4-(triazol-1-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 N-(3,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 141437573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).