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

C11H10F3N5OS — CID 118112240

IUPAC2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCSc1cc(C(F)(F)F)ccc1C(=O)Nc1nnnn1C
InChIInChI=1S/C11H10F3N5OS/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)21-2/h3-5H,1-2H3,(H,15,16,18,20)
InChIKeyUOXINRFTWRVKJM-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.20
Rot. Bonds3

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

2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118112240) has the molecular formula C11H10F3N5OS and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID118112240
Molecular FormulaC11H10F3N5OS
Molecular Weight317.30 g/mol
Exact Mass317.06
IUPAC Name2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCSc1cc(C(F)(F)F)ccc1C(=O)Nc1nnnn1C
InChIInChI=1S/C11H10F3N5OS/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)21-2/h3-5H,1-2H3,(H,15,16,18,20)
InChIKeyUOXINRFTWRVKJM-UHFFFAOYSA-N
XLogP2.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 118112240) is 2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is CSc1cc(C(F)(F)F)ccc1C(=O)Nc1nnnn1C.
What is the InChIKey of 2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is UOXINRFTWRVKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5OS/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)21-2/h3-5H,1-2H3,(H,15,16,18,20).
What are the key properties of 2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 317.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118112240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).