4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide

C13H15F2N5OS — CID 154996578

IUPAC4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide
SMILESCSCc1c(C(F)F)ccc(C(=O)Nc2nnnn2C)c1C
InChIInChI=1S/C13H15F2N5OS/c1-7-8(12(21)16-13-17-18-19-20(13)2)4-5-9(11(14)15)10(7)6-22-3/h4-5,11H,6H2,1-3H3,(H,16,17,19,21)
InChIKeyZBBGOWRFRWOGIC-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.57
Rot. Bonds5

About 4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide

4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 154996578) has the molecular formula C13H15F2N5OS and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID154996578
Molecular FormulaC13H15F2N5OS
Molecular Weight327.36 g/mol
Exact Mass327.10
IUPAC Name4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide
SMILESCSCc1c(C(F)F)ccc(C(=O)Nc2nnnn2C)c1C
InChIInChI=1S/C13H15F2N5OS/c1-7-8(12(21)16-13-17-18-19-20(13)2)4-5-9(11(14)15)10(7)6-22-3/h4-5,11H,6H2,1-3H3,(H,16,17,19,21)
InChIKeyZBBGOWRFRWOGIC-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide (CID 154996578) is 4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide is CSCc1c(C(F)F)ccc(C(=O)Nc2nnnn2C)c1C.
What is the InChIKey of 4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is ZBBGOWRFRWOGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5OS/c1-7-8(12(21)16-13-17-18-19-20(13)2)4-5-9(11(14)15)10(7)6-22-3/h4-5,11H,6H2,1-3H3,(H,16,17,19,21).
What are the key properties of 4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide?
4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 327.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methyl-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 154996578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).