N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H9Cl2N5OS — CID 901004

IUPACN-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2N5OS/c1-17-10(14-15-16-17)19-5-8(18)13-9-6(11)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyUHMJFXCMQPTOIE-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.25
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 901004) has the molecular formula C10H9Cl2N5OS and a molecular weight of 318.19 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID901004
Molecular FormulaC10H9Cl2N5OS
Molecular Weight318.19 g/mol
Exact Mass316.99
IUPAC NameN-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2N5OS/c1-17-10(14-15-16-17)19-5-8(18)13-9-6(11)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyUHMJFXCMQPTOIE-UHFFFAOYSA-N
XLogP2.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 901004) is N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is UHMJFXCMQPTOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5OS/c1-17-10(14-15-16-17)19-5-8(18)13-9-6(11)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,18).
What are the key properties of N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 318.19 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 901004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).