N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H9ClFN5OS — CID 670583

IUPACN-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H9ClFN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H,13,18)
InChIKeyJHWSEQFUBWCVBS-UHFFFAOYSA-N
MW301.73 g/mol
LogP1.73
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 670583) has the molecular formula C10H9ClFN5OS and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID670583
Molecular FormulaC10H9ClFN5OS
Molecular Weight301.73 g/mol
Exact Mass301.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H9ClFN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H,13,18)
InChIKeyJHWSEQFUBWCVBS-UHFFFAOYSA-N
XLogP1.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 670583) is N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is JHWSEQFUBWCVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H,13,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 301.73 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 670583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).