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

C19H18ClNO3S — CID 51359255

IUPAC1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=CCC(c2ccccc2)N(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18ClNO3S/c1-14(22)16-7-12-19(15-5-3-2-4-6-15)21(13-16)25(23,24)18-10-8-17(20)9-11-18/h2-11,19H,12-13H2,1H3
InChIKeyWUCRFDGAAXPVBK-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.99
Rot. Bonds4

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

1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone (PubChem CID 51359255) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
PubChem CID51359255
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=CCC(c2ccccc2)N(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18ClNO3S/c1-14(22)16-7-12-19(15-5-3-2-4-6-15)21(13-16)25(23,24)18-10-8-17(20)9-11-18/h2-11,19H,12-13H2,1H3
InChIKeyWUCRFDGAAXPVBK-UHFFFAOYSA-N
XLogP3.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone (CID 51359255) is 1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone is CC(=O)C1=CCC(c2ccccc2)N(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The InChIKey is WUCRFDGAAXPVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-14(22)16-7-12-19(15-5-3-2-4-6-15)21(13-16)25(23,24)18-10-8-17(20)9-11-18/h2-11,19H,12-13H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone has a molecular weight of 375.88 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone is sourced from PubChem (CID 51359255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).