2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

C13H15F3N6O4S — CID 118368096

IUPAC2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCNS(=O)(=O)c1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1COC
InChIInChI=1S/C13H15F3N6O4S/c1-17-27(24,25)10-8(6-26-3)7(4-5-9(10)13(14,15)16)11(23)18-12-19-20-21-22(12)2/h4-5,17H,6H2,1-3H3,(H,18,19,21,23)
InChIKeyHEBVCSUDCBNCCV-UHFFFAOYSA-N
MW408.36 g/mol
LogP0.54
Rot. Bonds6

About 2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118368096) has the molecular formula C13H15F3N6O4S and a molecular weight of 408.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID118368096
Molecular FormulaC13H15F3N6O4S
Molecular Weight408.36 g/mol
Exact Mass408.08
IUPAC Name2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCNS(=O)(=O)c1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1COC
InChIInChI=1S/C13H15F3N6O4S/c1-17-27(24,25)10-8(6-26-3)7(4-5-9(10)13(14,15)16)11(23)18-12-19-20-21-22(12)2/h4-5,17H,6H2,1-3H3,(H,18,19,21,23)
InChIKeyHEBVCSUDCBNCCV-UHFFFAOYSA-N
XLogP0.54
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-methoxysulfanyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118639448
3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 151659263
3-ethylsulfonyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 166505089
3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 155191375
4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
CID 118639402
2-chloro-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethyl)benzamide
CID 166505084
N-[1-(2-methoxyethyl)tetrazol-5-yl]-2-(trifluoromethyl)benzamide
CID 138051378
2-chloro-3-(methylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840928
2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 177043628
4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide
CID 167770872
2-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
CID 15029704
1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-(trifluoromethyl)pyrimidine-2-carboxamide
CID 86763472

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 118368096) is 2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is CNS(=O)(=O)c1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1COC.
What is the InChIKey of 2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is HEBVCSUDCBNCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O4S/c1-17-27(24,25)10-8(6-26-3)7(4-5-9(10)13(14,15)16)11(23)18-12-19-20-21-22(12)2/h4-5,17H,6H2,1-3H3,(H,18,19,21,23).
What are the key properties of 2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 408.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-(methylsulfamoyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118368096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).