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

C20H17ClFNO3S2 — CID 2739538

IUPAC5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1ccc(C2c3ccsc3CCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H17ClFNO3S2/c1-26-14-4-2-13(3-5-14)20-16-9-11-27-19(16)8-10-23(20)28(24,25)15-6-7-18(22)17(21)12-15/h2-7,9,11-12,20H,8,10H2,1H3
InChIKeyNIEZRLKORNYTLB-UHFFFAOYSA-N
MW437.95 g/mol
LogP4.89
Rot. Bonds4

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

5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 2739538) has the molecular formula C20H17ClFNO3S2 and a molecular weight of 437.95 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID2739538
Molecular FormulaC20H17ClFNO3S2
Molecular Weight437.95 g/mol
Exact Mass437.03
IUPAC Name5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1ccc(C2c3ccsc3CCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H17ClFNO3S2/c1-26-14-4-2-13(3-5-14)20-16-9-11-27-19(16)8-10-23(20)28(24,25)15-6-7-18(22)17(21)12-15/h2-7,9,11-12,20H,8,10H2,1H3
InChIKeyNIEZRLKORNYTLB-UHFFFAOYSA-N
XLogP4.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 2739538) is 5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is COc1ccc(C2c3ccsc3CCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is NIEZRLKORNYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO3S2/c1-26-14-4-2-13(3-5-14)20-16-9-11-27-19(16)8-10-23(20)28(24,25)15-6-7-18(22)17(21)12-15/h2-7,9,11-12,20H,8,10H2,1H3.
What are the key properties of 5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 437.95 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 2739538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).