N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide

C14H10F2N4O2S — CID 141437592

IUPACN-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C14H10F2N4O2S/c15-10-1-6-13(16)14(9-10)18-23(21,22)12-4-2-11(3-5-12)20-8-7-17-19-20/h1-9,18H
InChIKeyBVJYYNYTCGDTKT-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.35
Rot. Bonds4

About N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide

N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide (PubChem CID 141437592) has the molecular formula C14H10F2N4O2S and a molecular weight of 336.32 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide
PubChem CID141437592
Molecular FormulaC14H10F2N4O2S
Molecular Weight336.32 g/mol
Exact Mass336.05
IUPAC NameN-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1F)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C14H10F2N4O2S/c15-10-1-6-13(16)14(9-10)18-23(21,22)12-4-2-11(3-5-12)20-8-7-17-19-20/h1-9,18H
InChIKeyBVJYYNYTCGDTKT-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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Related Compounds

N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide
CID 141437589
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
2-chloro-N-(2,5-difluorophenyl)pyridine-4-sulfonamide
CID 54895626
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43105533
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
1-(2,5-difluorophenyl)triazole
CID 169324324
N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide
CID 141468045
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide
CID 141437586
N-(2,5-difluorophenyl)-3-hydroxybenzenesulfonamide
CID 81258697
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide (CID 141437592) is N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide is O=S(=O)(Nc1cc(F)ccc1F)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide?
The InChIKey is BVJYYNYTCGDTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2S/c15-10-1-6-13(16)14(9-10)18-23(21,22)12-4-2-11(3-5-12)20-8-7-17-19-20/h1-9,18H.
What are the key properties of N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide?
N-(2,5-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-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 141437592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).