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

C11H10F3N5O2S — CID 118368617

IUPAC2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(C(F)(F)F)cc1S(C)=O
InChIInChI=1S/C11H10F3N5O2S/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)22(2)21/h3-5H,1-2H3,(H,15,16,18,20)
InChIKeyPHLZJKBRTDMDDQ-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.22
Rot. Bonds3

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

2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118368617) has the molecular formula C11H10F3N5O2S and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID118368617
Molecular FormulaC11H10F3N5O2S
Molecular Weight333.30 g/mol
Exact Mass333.05
IUPAC Name2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(C(F)(F)F)cc1S(C)=O
InChIInChI=1S/C11H10F3N5O2S/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)22(2)21/h3-5H,1-2H3,(H,15,16,18,20)
InChIKeyPHLZJKBRTDMDDQ-UHFFFAOYSA-N
XLogP1.22
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylsulfonyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 71813020
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-methylsulfonyl-N-(4-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)benzamide
CID 89830695
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-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 90211652
2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 91799706
[2-Methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)carbamic acid
CID 117738972
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

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 118368617) is 2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is Cn1nnnc1NC(=O)c1ccc(C(F)(F)F)cc1S(C)=O.
What is the InChIKey of 2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is PHLZJKBRTDMDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2S/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)22(2)21/h3-5H,1-2H3,(H,15,16,18,20).
What are the key properties of 2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 333.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118368617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).