N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide

C14H11ClFNOS — CID 30854866

IUPACN-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H11ClFNOS/c1-19-11-5-2-9(3-6-11)14(18)17-13-7-4-10(16)8-12(13)15/h2-8H,1H3,(H,17,18)
InChIKeySTUSWBWQSZSAFZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.45
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide

N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide (PubChem CID 30854866) has the molecular formula C14H11ClFNOS and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide
PubChem CID30854866
Molecular FormulaC14H11ClFNOS
Molecular Weight295.77 g/mol
Exact Mass295.02
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H11ClFNOS/c1-19-11-5-2-9(3-6-11)14(18)17-13-7-4-10(16)8-12(13)15/h2-8H,1H3,(H,17,18)
InChIKeySTUSWBWQSZSAFZ-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide (CID 30854866) is N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide?
The InChIKey is STUSWBWQSZSAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNOS/c1-19-11-5-2-9(3-6-11)14(18)17-13-7-4-10(16)8-12(13)15/h2-8H,1H3,(H,17,18).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide?
N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide has a molecular weight of 295.77 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 30854866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).