2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide

C13H16ClNOS — CID 2451052

IUPAC2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC2CCCC2)c1
InChIInChI=1S/C13H16ClNOS/c1-17-10-6-7-12(14)11(8-10)13(16)15-9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyYSNHJHMTWAPYLU-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.73
Rot. Bonds3

About 2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide

2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide (PubChem CID 2451052) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide
PubChem CID2451052
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC2CCCC2)c1
InChIInChI=1S/C13H16ClNOS/c1-17-10-6-7-12(14)11(8-10)13(16)15-9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyYSNHJHMTWAPYLU-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide (CID 2451052) is 2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NC2CCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide?
The InChIKey is YSNHJHMTWAPYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNOS/c1-17-10-6-7-12(14)11(8-10)13(16)15-9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide?
2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide has a molecular weight of 269.80 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 2451052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).