4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide

C12H14FN5OS — CID 118491510

IUPAC4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCSc1c(CF)ccc(C(=O)Nc2nnnn2C)c1C
InChIInChI=1S/C12H14FN5OS/c1-7-9(5-4-8(6-13)10(7)20-3)11(19)14-12-15-16-17-18(12)2/h4-5H,6H2,1-3H3,(H,14,15,17,19)
InChIKeyUHOQRJKBZCYKIG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.96
Rot. Bonds4

About 4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide

4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 118491510) has the molecular formula C12H14FN5OS and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID118491510
Molecular FormulaC12H14FN5OS
Molecular Weight295.34 g/mol
Exact Mass295.09
IUPAC Name4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCSc1c(CF)ccc(C(=O)Nc2nnnn2C)c1C
InChIInChI=1S/C12H14FN5OS/c1-7-9(5-4-8(6-13)10(7)20-3)11(19)14-12-15-16-17-18(12)2/h4-5H,6H2,1-3H3,(H,14,15,17,19)
InChIKeyUHOQRJKBZCYKIG-UHFFFAOYSA-N
XLogP1.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylsulfonyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 71813020
2-methyl-N-(1-methyl-1H-tetraazol-5-yl)benzamide
CID 925647
2-methyl-3-(methylsulfonyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 60202789
N-ethyl-2-methyl-3-(methylsulfonyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 71580292
Sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide
CID 71813019
2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 90211636
N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 90211638
2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118112240
2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide
CID 118112243
2-methyl-3-methylsulfonyl-4-trifluorometyl-N-(1-propyltetrazol-5-yl)benzamide
CID 118162376
2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118368617
N-(1-ethyltetrazol-5-yl)-4-(fluoromethyl)-2-methyl-3-methylsulfanylbenzamide
CID 118491522

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide (CID 118491510) is 4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide is CSc1c(CF)ccc(C(=O)Nc2nnnn2C)c1C.
What is the InChIKey of 4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is UHOQRJKBZCYKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5OS/c1-7-9(5-4-8(6-13)10(7)20-3)11(19)14-12-15-16-17-18(12)2/h4-5H,6H2,1-3H3,(H,14,15,17,19).
What are the key properties of 4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide?
4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 295.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 118491510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).