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

C14H14ClNO2S2 — CID 32681564

IUPAC5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCc3sccc3C2)c(Cl)c1
InChIInChI=1S/C14H14ClNO2S2/c1-10-2-3-14(12(15)8-10)20(17,18)16-6-4-13-11(9-16)5-7-19-13/h2-3,5,7-8H,4,6,9H2,1H3
InChIKeyCTQNXGNKFMKFQT-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.46
Rot. Bonds2

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

5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 32681564) has the molecular formula C14H14ClNO2S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID32681564
Molecular FormulaC14H14ClNO2S2
Molecular Weight327.86 g/mol
Exact Mass327.02
IUPAC Name5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCc3sccc3C2)c(Cl)c1
InChIInChI=1S/C14H14ClNO2S2/c1-10-2-3-14(12(15)8-10)20(17,18)16-6-4-13-11(9-16)5-7-19-13/h2-3,5,7-8H,4,6,9H2,1H3
InChIKeyCTQNXGNKFMKFQT-UHFFFAOYSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 32681564) is 5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1ccc(S(=O)(=O)N2CCc3sccc3C2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is CTQNXGNKFMKFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S2/c1-10-2-3-14(12(15)8-10)20(17,18)16-6-4-13-11(9-16)5-7-19-13/h2-3,5,7-8H,4,6,9H2,1H3.
What are the key properties of 5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 327.86 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 32681564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).