3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

C11H9F4N5OS — CID 151659263

IUPAC3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCSc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1F
InChIInChI=1S/C11H9F4N5OS/c1-20-10(17-18-19-20)16-9(21)5-3-4-6(11(13,14)15)7(12)8(5)22-2/h3-4H,1-2H3,(H,16,17,19,21)
InChIKeyQWEMAJUPFSBIIT-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.34
Rot. Bonds3

About 3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 151659263) has the molecular formula C11H9F4N5OS and a molecular weight of 335.29 g/mol. Its IUPAC name is 3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID151659263
Molecular FormulaC11H9F4N5OS
Molecular Weight335.29 g/mol
Exact Mass335.05
IUPAC Name3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCSc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1F
InChIInChI=1S/C11H9F4N5OS/c1-20-10(17-18-19-20)16-9(21)5-3-4-6(11(13,14)15)7(12)8(5)22-2/h3-4H,1-2H3,(H,16,17,19,21)
InChIKeyQWEMAJUPFSBIIT-UHFFFAOYSA-N
XLogP2.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 151659263) is 3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is CSc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1F.
What is the InChIKey of 3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is QWEMAJUPFSBIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N5OS/c1-20-10(17-18-19-20)16-9(21)5-3-4-6(11(13,14)15)7(12)8(5)22-2/h3-4H,1-2H3,(H,16,17,19,21).
What are the key properties of 3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 335.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 151659263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).