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

C10H11FN4O3S — CID 83085336

IUPAC4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C10H11FN4O3S/c1-6-5-7(11)3-4-8(6)19(16,17)15-9-12-10(18-2)14-13-9/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyZKDUPILMSJXOGZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.06
Rot. Bonds4

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

4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 83085336) has the molecular formula C10H11FN4O3S and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID83085336
Molecular FormulaC10H11FN4O3S
Molecular Weight286.29 g/mol
Exact Mass286.05
IUPAC Name4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2C)n1
InChIInChI=1S/C10H11FN4O3S/c1-6-5-7(11)3-4-8(6)19(16,17)15-9-12-10(18-2)14-13-9/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyZKDUPILMSJXOGZ-UHFFFAOYSA-N
XLogP1.06
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.06
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
2-methyl-N-(1H-1,2,4-triazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 72108904
N-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-2-(3-fluorophenyl)ethanesulfonamide
CID 138021220
4-methyl-N-(1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 744331
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-fluorobenzenesulfonamide
CID 3425929
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3857522
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 5159135
4-Fluoro-2-methyl-n-(1h-[1,2,4]triazol-3-yl)-benzenesulfonamide
CID 52100225
4-fluoro-3-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 52100332
4-fluoro-2-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 53604296
5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55152224

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide (CID 83085336) is 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide is COc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2C)n1.
What is the InChIKey of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is ZKDUPILMSJXOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O3S/c1-6-5-7(11)3-4-8(6)19(16,17)15-9-12-10(18-2)14-13-9/h3-5H,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide?
4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 286.29 g/mol, XLogP of 1.06, 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)-2-methylbenzenesulfonamide is sourced from PubChem (CID 83085336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).