N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H11F2N5OS2 — CID 8547652

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C11H11F2N5OS2/c1-18-11(15-16-17-18)20-6-9(19)14-7-4-2-3-5-8(7)21-10(12)13/h2-5,10H,6H2,1H3,(H,14,19)
InChIKeyHOFCHRDOHXITMW-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 8547652) has the molecular formula C11H11F2N5OS2 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID8547652
Molecular FormulaC11H11F2N5OS2
Molecular Weight331.37 g/mol
Exact Mass331.04
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C11H11F2N5OS2/c1-18-11(15-16-17-18)20-6-9(19)14-7-4-2-3-5-8(7)21-10(12)13/h2-5,10H,6H2,1H3,(H,14,19)
InChIKeyHOFCHRDOHXITMW-UHFFFAOYSA-N
XLogP2.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 8547652) is N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is HOFCHRDOHXITMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5OS2/c1-18-11(15-16-17-18)20-6-9(19)14-7-4-2-3-5-8(7)21-10(12)13/h2-5,10H,6H2,1H3,(H,14,19).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 331.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 8547652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).