N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide

C16H15FN4O2S — CID 39341689

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESCCn1cnnc1-c1cccc(NS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H15FN4O2S/c1-2-21-11-18-19-16(21)12-5-3-7-14(9-12)20-24(22,23)15-8-4-6-13(17)10-15/h3-11,20H,2H2,1H3
InChIKeySPRQAZGKRIDFIZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.90
Rot. Bonds5

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide (PubChem CID 39341689) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide
PubChem CID39341689
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESCCn1cnnc1-c1cccc(NS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H15FN4O2S/c1-2-21-11-18-19-16(21)12-5-3-7-14(9-12)20-24(22,23)15-8-4-6-13(17)10-15/h3-11,20H,2H2,1H3
InChIKeySPRQAZGKRIDFIZ-UHFFFAOYSA-N
XLogP2.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide (CID 39341689) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide is CCn1cnnc1-c1cccc(NS(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is SPRQAZGKRIDFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-2-21-11-18-19-16(21)12-5-3-7-14(9-12)20-24(22,23)15-8-4-6-13(17)10-15/h3-11,20H,2H2,1H3.
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 346.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 39341689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).