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

C9H8F2N4O3S — CID 83084424

IUPAC2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C9H8F2N4O3S/c1-18-9-12-8(13-14-9)15-19(16,17)7-3-2-5(10)4-6(7)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyRLBZCFDGTDJZDP-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.89
Rot. Bonds4

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

2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 83084424) has the molecular formula C9H8F2N4O3S and a molecular weight of 290.25 g/mol. Its IUPAC name is 2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID83084424
Molecular FormulaC9H8F2N4O3S
Molecular Weight290.25 g/mol
Exact Mass290.03
IUPAC Name2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C9H8F2N4O3S/c1-18-9-12-8(13-14-9)15-19(16,17)7-3-2-5(10)4-6(7)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyRLBZCFDGTDJZDP-UHFFFAOYSA-N
XLogP0.89
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Amino-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 13772883
N-(5-amino-1H-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide
CID 13772887
1H-1,2,4-triazol-3-yl(phenylsulfonyl)amine
CID 4243591
3-fluoro-N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 72126338
4-Fluoro-N-1H-1,2,4-triazol-5-ylbenzenesulfonamide
CID 60384037
4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028882
2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 3863299
2-fluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 25037840
3,4-difluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 25041212
2,4-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 25046612
3,4-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 25047056
3-fluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 25048077

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 83084424) is 2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide is COc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2F)n1.
What is the InChIKey of 2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is RLBZCFDGTDJZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O3S/c1-18-9-12-8(13-14-9)15-19(16,17)7-3-2-5(10)4-6(7)11/h2-4H,1H3,(H2,12,13,14,15).
What are the key properties of 2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 290.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 83084424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).