2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C11H11ClF3NO2S — CID 103723272

IUPAC2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC(O)C(F)(F)F)c1
InChIInChI=1S/C11H11ClF3NO2S/c1-19-6-2-3-8(12)7(4-6)10(18)16-5-9(17)11(13,14)15/h2-4,9,17H,5H2,1H3,(H,16,18)
InChIKeySPTKJOANGNXZCH-UHFFFAOYSA-N
MW313.73 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103723272) has the molecular formula C11H11ClF3NO2S and a molecular weight of 313.73 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103723272
Molecular FormulaC11H11ClF3NO2S
Molecular Weight313.73 g/mol
Exact Mass313.02
IUPAC Name2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC(O)C(F)(F)F)c1
InChIInChI=1S/C11H11ClF3NO2S/c1-19-6-2-3-8(12)7(4-6)10(18)16-5-9(17)11(13,14)15/h2-4,9,17H,5H2,1H3,(H,16,18)
InChIKeySPTKJOANGNXZCH-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103723272) is 2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is CSc1ccc(Cl)c(C(=O)NCC(O)C(F)(F)F)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is SPTKJOANGNXZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2S/c1-19-6-2-3-8(12)7(4-6)10(18)16-5-9(17)11(13,14)15/h2-4,9,17H,5H2,1H3,(H,16,18).
What are the key properties of 2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 313.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103723272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).