N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H10ClN5OS — CID 864606

IUPACN-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H10ClN5OS/c1-16-10(13-14-15-16)18-6-9(17)12-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3,(H,12,17)
InChIKeyZFIJLLMJRLHJPU-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.59
Rot. Bonds4

About N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 864606) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID864606
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC NameN-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H10ClN5OS/c1-16-10(13-14-15-16)18-6-9(17)12-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3,(H,12,17)
InChIKeyZFIJLLMJRLHJPU-UHFFFAOYSA-N
XLogP1.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 864606) is N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZFIJLLMJRLHJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c1-16-10(13-14-15-16)18-6-9(17)12-8-5-3-2-4-7(8)11/h2-5H,6H2,1H3,(H,12,17).
What are the key properties of N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 283.74 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 864606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).