N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide

C17H15ClN4OS — CID 118478247

IUPACN-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide
SMILESCCSc1n[nH]c(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)n1
InChIInChI=1S/C17H15ClN4OS/c1-2-24-17-20-15(21-22-17)11-5-3-6-12(9-11)16(23)19-14-8-4-7-13(18)10-14/h3-10H,2H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyZRMFUFOOZVJTIE-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.49
Rot. Bonds5

About N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide

N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 118478247) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID118478247
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC NameN-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide
SMILESCCSc1n[nH]c(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)n1
InChIInChI=1S/C17H15ClN4OS/c1-2-24-17-20-15(21-22-17)11-5-3-6-12(9-11)16(23)19-14-8-4-7-13(18)10-14/h3-10H,2H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyZRMFUFOOZVJTIE-UHFFFAOYSA-N
XLogP4.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide (CID 118478247) is N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide is CCSc1n[nH]c(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)n1.
What is the InChIKey of N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is ZRMFUFOOZVJTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-2-24-17-20-15(21-22-17)11-5-3-6-12(9-11)16(23)19-14-8-4-7-13(18)10-14/h3-10H,2H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide?
N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 358.85 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 118478247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).