(7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C19H14ClNO3S2 — CID 42559093

IUPAC(7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccccc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1
InChIInChI=1S/C19H14ClNO3S2/c20-13-6-8-14(9-7-13)26(23,24)16-11-25-19-15(10-17(22)21-18(16)19)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,21,22)/t15-/m1/s1
InChIKeyUAUXFRFNBXBZAZ-OAHLLOKOSA-N
MW403.91 g/mol
LogP4.71
Rot. Bonds3

About (7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42559093) has the molecular formula C19H14ClNO3S2 and a molecular weight of 403.91 g/mol. Its IUPAC name is (7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42559093
Molecular FormulaC19H14ClNO3S2
Molecular Weight403.91 g/mol
Exact Mass403.01
IUPAC Name(7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccccc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1
InChIInChI=1S/C19H14ClNO3S2/c20-13-6-8-14(9-7-13)26(23,24)16-11-25-19-15(10-17(22)21-18(16)19)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,21,22)/t15-/m1/s1
InChIKeyUAUXFRFNBXBZAZ-OAHLLOKOSA-N
XLogP4.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

(7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055251
3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53032368
(7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055175
3-(4-chlorophenyl)sulfonyl-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53047422
(7S)-3-(4-chlorophenyl)sulfonyl-7-(4-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055277
3-(4-chlorophenyl)sulfonyl-7-(4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53047425
(7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061804
(7R)-3-(4-chlorophenyl)sulfonyl-7-(4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061809
4-[(7S)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid
CID 95061599
4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid
CID 95061598
(7R)-3-(benzenesulfonyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055136
(7R)-3-(4-chlorophenyl)sulfonyl-7-(3,4-diethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061828

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42559093) is (7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@H](c2ccccc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1.
What is the InChIKey of (7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is UAUXFRFNBXBZAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H14ClNO3S2/c20-13-6-8-14(9-7-13)26(23,24)16-11-25-19-15(10-17(22)21-18(16)19)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,21,22)/t15-/m1/s1.
What are the key properties of (7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 403.91 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42559093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).