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

C11H11ClFN5OS — CID 118112243

IUPAC2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCSc1c(CF)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C11H11ClFN5OS/c1-18-11(15-16-17-18)14-10(19)7-4-3-6(5-13)9(20-2)8(7)12/h3-4H,5H2,1-2H3,(H,14,15,17,19)
InChIKeyBKVMCHVFULAJDO-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.31
Rot. Bonds4

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

2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 118112243) has the molecular formula C11H11ClFN5OS and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID118112243
Molecular FormulaC11H11ClFN5OS
Molecular Weight315.76 g/mol
Exact Mass315.04
IUPAC Name2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCSc1c(CF)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C11H11ClFN5OS/c1-18-11(15-16-17-18)14-10(19)7-4-3-6(5-13)9(20-2)8(7)12/h3-4H,5H2,1-2H3,(H,14,15,17,19)
InChIKeyBKVMCHVFULAJDO-UHFFFAOYSA-N
XLogP2.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide (CID 118112243) is 2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide is CSc1c(CF)ccc(C(=O)Nc2nnnn2C)c1Cl.
What is the InChIKey of 2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is BKVMCHVFULAJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5OS/c1-18-11(15-16-17-18)14-10(19)7-4-3-6(5-13)9(20-2)8(7)12/h3-4H,5H2,1-2H3,(H,14,15,17,19).
What are the key properties of 2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide?
2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 315.76 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(fluoromethyl)-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 118112243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).