1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone

C20H20ClNO3S — CID 51359079

IUPAC1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=CCC(c2ccc(Cl)cc2)N(S(=O)(=O)c2ccccc2C)C1
InChIInChI=1S/C20H20ClNO3S/c1-14-5-3-4-6-20(14)26(24,25)22-13-17(15(2)23)9-12-19(22)16-7-10-18(21)11-8-16/h3-11,19H,12-13H2,1-2H3
InChIKeyQVJKEVJLGYVHNC-UHFFFAOYSA-N
MW389.90 g/mol
LogP4.30
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone

1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone (PubChem CID 51359079) has the molecular formula C20H20ClNO3S and a molecular weight of 389.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
PubChem CID51359079
Molecular FormulaC20H20ClNO3S
Molecular Weight389.90 g/mol
Exact Mass389.09
IUPAC Name1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=CCC(c2ccc(Cl)cc2)N(S(=O)(=O)c2ccccc2C)C1
InChIInChI=1S/C20H20ClNO3S/c1-14-5-3-4-6-20(14)26(24,25)22-13-17(15(2)23)9-12-19(22)16-7-10-18(21)11-8-16/h3-11,19H,12-13H2,1-2H3
InChIKeyQVJKEVJLGYVHNC-UHFFFAOYSA-N
XLogP4.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone (CID 51359079) is 1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone is CC(=O)C1=CCC(c2ccc(Cl)cc2)N(S(=O)(=O)c2ccccc2C)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The InChIKey is QVJKEVJLGYVHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3S/c1-14-5-3-4-6-20(14)26(24,25)22-13-17(15(2)23)9-12-19(22)16-7-10-18(21)11-8-16/h3-11,19H,12-13H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone has a molecular weight of 389.90 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone is sourced from PubChem (CID 51359079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).