4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide

C15H15FN4O2S — CID 143624099

IUPAC4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2NCN=C2Cc2ccccc2)c(F)c1
InChIInChI=1S/C15H15FN4O2S/c16-13-9-12(23(17,21)22)6-7-14(13)20-15(18-10-19-20)8-11-4-2-1-3-5-11/h1-7,9,19H,8,10H2,(H2,17,21,22)
InChIKeyRBCDROAHOGVSBR-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.40
Rot. Bonds4

About 4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide

4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide (PubChem CID 143624099) has the molecular formula C15H15FN4O2S and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide
PubChem CID143624099
Molecular FormulaC15H15FN4O2S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2NCN=C2Cc2ccccc2)c(F)c1
InChIInChI=1S/C15H15FN4O2S/c16-13-9-12(23(17,21)22)6-7-14(13)20-15(18-10-19-20)8-11-4-2-1-3-5-11/h1-7,9,19H,8,10H2,(H2,17,21,22)
InChIKeyRBCDROAHOGVSBR-UHFFFAOYSA-N
XLogP1.40
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide (CID 143624099) is 4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(N2NCN=C2Cc2ccccc2)c(F)c1.
What is the InChIKey of 4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide?
The InChIKey is RBCDROAHOGVSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2S/c16-13-9-12(23(17,21)22)6-7-14(13)20-15(18-10-19-20)8-11-4-2-1-3-5-11/h1-7,9,19H,8,10H2,(H2,17,21,22).
What are the key properties of 4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide?
4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide has a molecular weight of 334.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1,5-dihydro-1,2,4-triazol-2-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 143624099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).