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

C9H9FN4O3S — CID 83093633

IUPAC4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C9H9FN4O3S/c1-17-9-11-8(12-13-9)14-18(15,16)7-4-2-6(10)3-5-7/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyDHNWSJJSLGBZMW-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.75
Rot. Bonds4

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

4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 83093633) has the molecular formula C9H9FN4O3S and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID83093633
Molecular FormulaC9H9FN4O3S
Molecular Weight272.26 g/mol
Exact Mass272.04
IUPAC Name4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C9H9FN4O3S/c1-17-9-11-8(12-13-9)14-18(15,16)7-4-2-6(10)3-5-7/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyDHNWSJJSLGBZMW-UHFFFAOYSA-N
XLogP0.75
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.75
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
4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71969278
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
2,4-dichloro-3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 103088800
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
N-{3-(dimethylamino)-1-[(4-fluorophenyl)sulfonyl]-1H-1,2,4-triazol-5-yl}-N,N-dimethylamine
CID 3839758
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 83093633) is 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide is COc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is DHNWSJJSLGBZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O3S/c1-17-9-11-8(12-13-9)14-18(15,16)7-4-2-6(10)3-5-7/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 272.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 83093633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).