2-chloro-N-(2-phenylsulfanylethyl)benzamide

C15H14ClNOS — CID 2284706

IUPAC2-chloro-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H14ClNOS/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyNNWNQVMEKRJJMU-UHFFFAOYSA-N
MW291.80 g/mol
LogP3.86
Rot. Bonds5

About 2-chloro-N-(2-phenylsulfanylethyl)benzamide

2-chloro-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 2284706) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylsulfanylethyl)benzamide
PubChem CID2284706
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name2-chloro-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H14ClNOS/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyNNWNQVMEKRJJMU-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-chloro-N-(2-phenylsulfanylethyl)benzamide (CID 2284706) is 2-chloro-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-phenylsulfanylethyl)benzamide is O=C(NCCSc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is NNWNQVMEKRJJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-chloro-N-(2-phenylsulfanylethyl)benzamide?
2-chloro-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 291.80 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 2284706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).