N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C11H11ClN4OS — CID 895833

IUPACN-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C11H11ClN4OS/c1-7-13-11(16-15-7)18-6-10(17)14-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyZNXHHFJWQXXUPN-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.50
Rot. Bonds4

About N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 895833) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID895833
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC NameN-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C11H11ClN4OS/c1-7-13-11(16-15-7)18-6-10(17)14-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyZNXHHFJWQXXUPN-UHFFFAOYSA-N
XLogP2.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 895833) is N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ZNXHHFJWQXXUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-7-13-11(16-15-7)18-6-10(17)14-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H,14,17)(H,13,15,16).
What are the key properties of N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 282.76 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 895833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).