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

C10H9F3N4O3S — CID 83090796

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H9F3N4O3S/c1-20-9-14-8(15-16-9)17-21(18,19)7-4-2-6(3-5-7)10(11,12)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyGVESRKLEBVPKCE-UHFFFAOYSA-N
MW322.27 g/mol
LogP1.63
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 83090796) 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)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID83090796
Molecular FormulaC10H9F3N4O3S
Molecular Weight322.27 g/mol
Exact Mass322.03
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H9F3N4O3S/c1-20-9-14-8(15-16-9)17-21(18,19)7-4-2-6(3-5-7)10(11,12)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyGVESRKLEBVPKCE-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 83090796) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide is COc1n[nH]c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GVESRKLEBVPKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O3S/c1-20-9-14-8(15-16-9)17-21(18,19)7-4-2-6(3-5-7)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)-4-(trifluoromethyl)benzenesulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(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)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 83090796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).