1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C16H16Cl2N2O3S — CID 7714410

IUPAC1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c17-13-4-3-12(15(18)9-13)10-19-11-14(5-6-16(19)21)24(22,23)20-7-1-2-8-20/h3-6,9,11H,1-2,7-8,10H2
InChIKeyXJEATEYAFWTPGJ-UHFFFAOYSA-N
MW387.29 g/mol
LogP2.99
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 7714410) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID7714410
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c17-13-4-3-12(15(18)9-13)10-19-11-14(5-6-16(19)21)24(22,23)20-7-1-2-8-20/h3-6,9,11H,1-2,7-8,10H2
InChIKeyXJEATEYAFWTPGJ-UHFFFAOYSA-N
XLogP2.99
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 7714410) is 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is XJEATEYAFWTPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c17-13-4-3-12(15(18)9-13)10-19-11-14(5-6-16(19)21)24(22,23)20-7-1-2-8-20/h3-6,9,11H,1-2,7-8,10H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 387.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 7714410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).