(7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C19H14ClNO3S2 — CID 95055175

IUPAC(7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2cccc(Cl)c2)c2scc(S(=O)(=O)c3ccccc3)c2N1
InChIInChI=1S/C19H14ClNO3S2/c20-13-6-4-5-12(9-13)15-10-17(22)21-18-16(11-25-19(15)18)26(23,24)14-7-2-1-3-8-14/h1-9,11,15H,10H2,(H,21,22)/t15-/m0/s1
InChIKeyLPULYMOIOZWAFU-HNNXBMFYSA-N
MW403.91 g/mol
LogP4.71
Rot. Bonds3

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

(7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 95055175) has the molecular formula C19H14ClNO3S2 and a molecular weight of 403.91 g/mol. Its IUPAC name is (7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID95055175
Molecular FormulaC19H14ClNO3S2
Molecular Weight403.91 g/mol
Exact Mass403.01
IUPAC Name(7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@@H](c2cccc(Cl)c2)c2scc(S(=O)(=O)c3ccccc3)c2N1
InChIInChI=1S/C19H14ClNO3S2/c20-13-6-4-5-12(9-13)15-10-17(22)21-18-16(11-25-19(15)18)26(23,24)14-7-2-1-3-8-14/h1-9,11,15H,10H2,(H,21,22)/t15-/m0/s1
InChIKeyLPULYMOIOZWAFU-HNNXBMFYSA-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 (7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53032368
(7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559093
3-(benzenesulfonyl)-7-(3-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53032354
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
3-(benzenesulfonyl)-7-naphthalen-1-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53047313
(7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055251
(7S)-7-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055219
(7R)-7-(3-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055328
7-(3-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53032431
7-(3-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53047477

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 95055175) is (7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@@H](c2cccc(Cl)c2)c2scc(S(=O)(=O)c3ccccc3)c2N1.
What is the InChIKey of (7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is LPULYMOIOZWAFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H14ClNO3S2/c20-13-6-4-5-12(9-13)15-10-17(22)21-18-16(11-25-19(15)18)26(23,24)14-7-2-1-3-8-14/h1-9,11,15H,10H2,(H,21,22)/t15-/m0/s1.
What are the key properties of (7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-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 (7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 95055175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).