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

C11H9ClF3N5OS — CID 91799706

IUPAC2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCSc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C11H9ClF3N5OS/c1-20-10(17-18-19-20)16-9(21)5-3-4-6(11(13,14)15)8(22-2)7(5)12/h3-4H,1-2H3,(H,16,17,19,21)
InChIKeyCBLVSAWUSFLCPN-UHFFFAOYSA-N
MW351.74 g/mol
LogP2.86
Rot. Bonds3

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

2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 91799706) has the molecular formula C11H9ClF3N5OS and a molecular weight of 351.74 g/mol. Its IUPAC name is 2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID91799706
Molecular FormulaC11H9ClF3N5OS
Molecular Weight351.74 g/mol
Exact Mass351.02
IUPAC Name2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCSc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C11H9ClF3N5OS/c1-20-10(17-18-19-20)16-9(21)5-3-4-6(11(13,14)15)8(22-2)7(5)12/h3-4H,1-2H3,(H,16,17,19,21)
InChIKeyCBLVSAWUSFLCPN-UHFFFAOYSA-N
XLogP2.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 91799706) is 2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is CSc1c(C(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl.
What is the InChIKey of 2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is CBLVSAWUSFLCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5OS/c1-20-10(17-18-19-20)16-9(21)5-3-4-6(11(13,14)15)8(22-2)7(5)12/h3-4H,1-2H3,(H,16,17,19,21).
What are the key properties of 2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 351.74 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 91799706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).