4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide

C10H10ClFN4O3S — CID 104818665

IUPAC4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C10H10ClFN4O3S/c1-2-19-10-13-9(14-15-10)16-20(17,18)8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3,(H2,13,14,15,16)
InChIKeyGDZMCPHAHGAJSE-UHFFFAOYSA-N
MW320.73 g/mol
LogP1.80
Rot. Bonds5

About 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide

4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide (PubChem CID 104818665) has the molecular formula C10H10ClFN4O3S and a molecular weight of 320.73 g/mol. Its IUPAC name is 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide
PubChem CID104818665
Molecular FormulaC10H10ClFN4O3S
Molecular Weight320.73 g/mol
Exact Mass320.01
IUPAC Name4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C10H10ClFN4O3S/c1-2-19-10-13-9(14-15-10)16-20(17,18)8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3,(H2,13,14,15,16)
InChIKeyGDZMCPHAHGAJSE-UHFFFAOYSA-N
XLogP1.80
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 113456578
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
CID 104818556
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104818633
2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-nitrobenzenesulfonamide
CID 83097924
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104818512
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide
CID 113456582
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
CID 104818544
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
CID 104818012
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
2-(3-chlorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104818243
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylpropane-1-sulfonamide
CID 107858868
3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide
CID 138024221

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide (CID 104818665) is 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide is CCOc1n[nH]c(NS(=O)(=O)c2ccc(Cl)cc2F)n1.
What is the InChIKey of 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide?
The InChIKey is GDZMCPHAHGAJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O3S/c1-2-19-10-13-9(14-15-10)16-20(17,18)8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide?
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide has a molecular weight of 320.73 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 104818665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).