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

C10H9F3N4O3S — CID 83090797

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H9F3N4O3S/c1-20-9-14-8(15-16-9)17-21(18,19)7-4-2-3-6(5-7)10(11,12)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyBMGIUWQKKJXVBG-UHFFFAOYSA-N
MW322.27 g/mol
LogP1.63
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 83090797) has the molecular formula C10H9F3N4O3S and a molecular weight of 322.27 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID83090797
Molecular FormulaC10H9F3N4O3S
Molecular Weight322.27 g/mol
Exact Mass322.03
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H9F3N4O3S/c1-20-9-14-8(15-16-9)17-21(18,19)7-4-2-3-6(5-7)10(11,12)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyBMGIUWQKKJXVBG-UHFFFAOYSA-N
XLogP1.63
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 51.63
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~3~,N~3~,N~5~,N~5~-tetramethyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1H-1,2,4-triazole-3,5-diamine
CID 1488378
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
4-methyl-N-(1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 744331
2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1H-1,2,4-triazol-2-ium-3-amine
CID 2340667
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3870708
4-methyl-N-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]benzenesulfonamide
CID 4382500
N-(1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4521037
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 83090797) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is COc1n[nH]c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BMGIUWQKKJXVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O3S/c1-20-9-14-8(15-16-9)17-21(18,19)7-4-2-3-6(5-7)10(11,12)13/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 322.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 83090797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).