N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

C16H13FN4OS — CID 51149392

IUPACN-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C16H13FN4OS/c17-13-2-1-3-14(8-13)20-15(22)12-6-4-11(5-7-12)9-23-16-18-10-19-21-16/h1-8,10H,9H2,(H,20,22)(H,18,19,21)
InChIKeyJXYMBPBAYQIOFT-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.49
Rot. Bonds5

About N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (PubChem CID 51149392) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
PubChem CID51149392
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC NameN-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C16H13FN4OS/c17-13-2-1-3-14(8-13)20-15(22)12-6-4-11(5-7-12)9-23-16-18-10-19-21-16/h1-8,10H,9H2,(H,20,22)(H,18,19,21)
InChIKeyJXYMBPBAYQIOFT-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (CID 51149392) is N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is O=C(Nc1cccc(F)c1)c1ccc(CSc2ncn[nH]2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The InChIKey is JXYMBPBAYQIOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c17-13-2-1-3-14(8-13)20-15(22)12-6-4-11(5-7-12)9-23-16-18-10-19-21-16/h1-8,10H,9H2,(H,20,22)(H,18,19,21).
What are the key properties of N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide has a molecular weight of 328.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 51149392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).