2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

C11H9ClF3N5O2S — CID 90211652

IUPAC2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(S(C)=O)c1Cl
InChIInChI=1S/C11H9ClF3N5O2S/c1-20-10(17-18-19-20)16-9(21)5-3-4-6(11(13,14)15)8(7(5)12)23(2)22/h3-4H,1-2H3,(H,16,17,19,21)
InChIKeyVJHXAUOFVZMCGR-UHFFFAOYSA-N
MW367.74 g/mol
LogP1.87
Rot. Bonds3

About 2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 90211652) has the molecular formula C11H9ClF3N5O2S and a molecular weight of 367.74 g/mol. Its IUPAC name is 2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID90211652
Molecular FormulaC11H9ClF3N5O2S
Molecular Weight367.74 g/mol
Exact Mass367.01
IUPAC Name2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(S(C)=O)c1Cl
InChIInChI=1S/C11H9ClF3N5O2S/c1-20-10(17-18-19-20)16-9(21)5-3-4-6(11(13,14)15)8(7(5)12)23(2)22/h3-4H,1-2H3,(H,16,17,19,21)
InChIKeyVJHXAUOFVZMCGR-UHFFFAOYSA-N
XLogP1.87
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 90211652) is 2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is Cn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(S(C)=O)c1Cl.
What is the InChIKey of 2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is VJHXAUOFVZMCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5O2S/c1-20-10(17-18-19-20)16-9(21)5-3-4-6(11(13,14)15)8(7(5)12)23(2)22/h3-4H,1-2H3,(H,16,17,19,21).
What are the key properties of 2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 367.74 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90211652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).