3-(2-chlorophenyl)sulfinylazepan-2-one

C12H14ClNO2S — CID 13268925

IUPAC3-(2-chlorophenyl)sulfinylazepan-2-one
SMILESO=C1NCCCCC1S(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2S/c13-9-5-1-2-6-10(9)17(16)11-7-3-4-8-14-12(11)15/h1-2,5-6,11H,3-4,7-8H2,(H,14,15)
InChIKeyKGRDFGJGYMAQCC-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.12
Rot. Bonds2

About 3-(2-chlorophenyl)sulfinylazepan-2-one

3-(2-chlorophenyl)sulfinylazepan-2-one (PubChem CID 13268925) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfinylazepan-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfinylazepan-2-one
PubChem CID13268925
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name3-(2-chlorophenyl)sulfinylazepan-2-one
SMILESO=C1NCCCCC1S(=O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2S/c13-9-5-1-2-6-10(9)17(16)11-7-3-4-8-14-12(11)15/h1-2,5-6,11H,3-4,7-8H2,(H,14,15)
InChIKeyKGRDFGJGYMAQCC-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfinylazepan-2-one?
The IUPAC name of 3-(2-chlorophenyl)sulfinylazepan-2-one (CID 13268925) is 3-(2-chlorophenyl)sulfinylazepan-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)sulfinylazepan-2-one?
The canonical SMILES for 3-(2-chlorophenyl)sulfinylazepan-2-one is O=C1NCCCCC1S(=O)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfinylazepan-2-one?
The InChIKey is KGRDFGJGYMAQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c13-9-5-1-2-6-10(9)17(16)11-7-3-4-8-14-12(11)15/h1-2,5-6,11H,3-4,7-8H2,(H,14,15).
What are the key properties of 3-(2-chlorophenyl)sulfinylazepan-2-one?
3-(2-chlorophenyl)sulfinylazepan-2-one has a molecular weight of 271.77 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfinylazepan-2-one is sourced from PubChem (CID 13268925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).