5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C20H18ClNO3S2 — CID 2739536

IUPAC5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1ccc(C2c3ccsc3CCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClNO3S2/c1-25-16-6-2-14(3-7-16)20-18-11-13-26-19(18)10-12-22(20)27(23,24)17-8-4-15(21)5-9-17/h2-9,11,13,20H,10,12H2,1H3
InChIKeyMCDSMNOMBMMJCG-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.75
Rot. Bonds4

About 5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 2739536) has the molecular formula C20H18ClNO3S2 and a molecular weight of 419.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID2739536
Molecular FormulaC20H18ClNO3S2
Molecular Weight419.96 g/mol
Exact Mass419.04
IUPAC Name5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1ccc(C2c3ccsc3CCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClNO3S2/c1-25-16-6-2-14(3-7-16)20-18-11-13-26-19(18)10-12-22(20)27(23,24)17-8-4-15(21)5-9-17/h2-9,11,13,20H,10,12H2,1H3
InChIKeyMCDSMNOMBMMJCG-UHFFFAOYSA-N
XLogP4.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 2739536) is 5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is COc1ccc(C2c3ccsc3CCN2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is MCDSMNOMBMMJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3S2/c1-25-16-6-2-14(3-7-16)20-18-11-13-26-19(18)10-12-22(20)27(23,24)17-8-4-15(21)5-9-17/h2-9,11,13,20H,10,12H2,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 419.96 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 2739536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).