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

C11H10F3N5O3S — CID 71813020

IUPAC2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O
InChIInChI=1S/C11H10F3N5O3S/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)23(2,21)22/h3-5H,1-2H3,(H,15,16,18,20)
InChIKeyXOZLZZGMRLKTTP-UHFFFAOYSA-N
MW349.29 g/mol
LogP0.88
Rot. Bonds3

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

2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 71813020) has the molecular formula C11H10F3N5O3S and a molecular weight of 349.29 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID71813020
Molecular FormulaC11H10F3N5O3S
Molecular Weight349.29 g/mol
Exact Mass349.05
IUPAC Name2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O
InChIInChI=1S/C11H10F3N5O3S/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)23(2,21)22/h3-5H,1-2H3,(H,15,16,18,20)
InChIKeyXOZLZZGMRLKTTP-UHFFFAOYSA-N
XLogP0.88
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-methyl-3-methylsulfonyl-4-trifluorometyl-N-(1-propyltetrazol-5-yl)benzamide
CID 118162376
2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzenecarbothioamide
CID 118178018

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 71813020) is 2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is Cn1nnnc1NC(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is XOZLZZGMRLKTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O3S/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)23(2,21)22/h3-5H,1-2H3,(H,15,16,18,20).
What are the key properties of 2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 349.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 71813020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).