6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one

C14H13NO3S2 — CID 12752009

IUPAC6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)c3ccsc3C2)cc1
InChIInChI=1S/C14H13NO3S2/c1-10-2-4-11(5-3-10)20(17,18)15-8-13(16)12-6-7-19-14(12)9-15/h2-7H,8-9H2,1H3
InChIKeyJYYXYPZOZPFSRP-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.44
Rot. Bonds2

About 6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one

6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one (PubChem CID 12752009) has the molecular formula C14H13NO3S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one
PubChem CID12752009
Molecular FormulaC14H13NO3S2
Molecular Weight307.40 g/mol
Exact Mass307.03
IUPAC Name6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)c3ccsc3C2)cc1
InChIInChI=1S/C14H13NO3S2/c1-10-2-4-11(5-3-10)20(17,18)15-8-13(16)12-6-7-19-14(12)9-15/h2-7H,8-9H2,1H3
InChIKeyJYYXYPZOZPFSRP-UHFFFAOYSA-N
XLogP2.44
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(4-methylphenyl)sulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
CID 15231190
3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
10,23,28,34-tetrakis-(4-methylphenyl)sulfonyl-10,23,28,34-tetrazaheptacyclo[17.7.3.36,14.13,25.14,8.112,16.117,21]hexatriaconta-1,3(30),4(36),5,7,12,14,16(32),17(31),18,20,25-dodecaene
CID 100934368
(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 73050935
(5Z)-8,9-dichloro-3-(4-methylphenyl)sulfonyl-2,4-dihydro-3-benzazocin-1-one
CID 46184021
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
CID 102280475
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one?
The IUPAC name of 6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one (CID 12752009) is 6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one.
What is the SMILES notation for 6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one?
The canonical SMILES for 6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one is Cc1ccc(S(=O)(=O)N2CC(=O)c3ccsc3C2)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one?
The InChIKey is JYYXYPZOZPFSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S2/c1-10-2-4-11(5-3-10)20(17,18)15-8-13(16)12-6-7-19-14(12)9-15/h2-7H,8-9H2,1H3.
What are the key properties of 6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one?
6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one has a molecular weight of 307.40 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one is sourced from PubChem (CID 12752009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).