[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone

C18H16Cl2F2N2O3S — CID 58210511

IUPAC[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2cccc(Cl)c2Cl)n1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H16Cl2F2N2O3S/c19-13-4-2-6-15(16(13)20)28(26,27)11-12-3-1-5-14(23-12)17(25)24-9-7-18(21,22)8-10-24/h1-6H,7-11H2
InChIKeyUNMCDEZWNBCSEY-UHFFFAOYSA-N
MW449.31 g/mol
LogP4.23
Rot. Bonds4

About [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone

[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 58210511) has the molecular formula C18H16Cl2F2N2O3S and a molecular weight of 449.31 g/mol. Its IUPAC name is [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID58210511
Molecular FormulaC18H16Cl2F2N2O3S
Molecular Weight449.31 g/mol
Exact Mass448.02
IUPAC Name[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2cccc(Cl)c2Cl)n1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H16Cl2F2N2O3S/c19-13-4-2-6-15(16(13)20)28(26,27)11-12-3-1-5-14(23-12)17(25)24-9-7-18(21,22)8-10-24/h1-6H,7-11H2
InChIKeyUNMCDEZWNBCSEY-UHFFFAOYSA-N
XLogP4.23
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone (CID 58210511) is [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(c1cccc(CS(=O)(=O)c2cccc(Cl)c2Cl)n1)N1CCC(F)(F)CC1.
What is the InChIKey of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is UNMCDEZWNBCSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F2N2O3S/c19-13-4-2-6-15(16(13)20)28(26,27)11-12-3-1-5-14(23-12)17(25)24-9-7-18(21,22)8-10-24/h1-6H,7-11H2.
What are the key properties of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone?
[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 449.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 58210511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).