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

C10H9BrFN5OS — CID 2162589

IUPACN-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C10H9BrFN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyFJQGOXICJCFSOM-UHFFFAOYSA-N
MW346.19 g/mol
LogP1.84
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2162589) has the molecular formula C10H9BrFN5OS and a molecular weight of 346.19 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2162589
Molecular FormulaC10H9BrFN5OS
Molecular Weight346.19 g/mol
Exact Mass344.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C10H9BrFN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyFJQGOXICJCFSOM-UHFFFAOYSA-N
XLogP1.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2162589) is N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FJQGOXICJCFSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 346.19 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2162589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).