N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide

C10H9F2N5OS — CID 52896191

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1ccccc1SC(F)F
InChIInChI=1S/C10H9F2N5OS/c11-10(12)19-8-4-2-1-3-7(8)14-9(18)5-17-6-13-15-16-17/h1-4,6,10H,5H2,(H,14,18)
InChIKeyILFGOGLGYUGVFP-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 52896191) has the molecular formula C10H9F2N5OS and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide
PubChem CID52896191
Molecular FormulaC10H9F2N5OS
Molecular Weight285.28 g/mol
Exact Mass285.05
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1ccccc1SC(F)F
InChIInChI=1S/C10H9F2N5OS/c11-10(12)19-8-4-2-1-3-7(8)14-9(18)5-17-6-13-15-16-17/h1-4,6,10H,5H2,(H,14,18)
InChIKeyILFGOGLGYUGVFP-UHFFFAOYSA-N
XLogP1.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide (CID 52896191) is N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1ccccc1SC(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is ILFGOGLGYUGVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5OS/c11-10(12)19-8-4-2-1-3-7(8)14-9(18)5-17-6-13-15-16-17/h1-4,6,10H,5H2,(H,14,18).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 285.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 52896191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).