3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine

C19H18ClNO2S2 — CID 70848575

IUPAC3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine
SMILESCCC/C=C(\C)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO2S2/c1-3-4-6-13(2)25(22,23)19-17(14-8-10-15(20)11-9-14)16-7-5-12-21-18(16)24-19/h5-12H,3-4H2,1-2H3/b13-6+
InChIKeyZGRHMBVGYCBIFI-AWNIVKPZSA-N
MW391.95 g/mol
LogP6.09
Rot. Bonds5

About 3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine

3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine (PubChem CID 70848575) has the molecular formula C19H18ClNO2S2 and a molecular weight of 391.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine
PubChem CID70848575
Molecular FormulaC19H18ClNO2S2
Molecular Weight391.95 g/mol
Exact Mass391.05
IUPAC Name3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine
SMILESCCC/C=C(\C)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO2S2/c1-3-4-6-13(2)25(22,23)19-17(14-8-10-15(20)11-9-14)16-7-5-12-21-18(16)24-19/h5-12H,3-4H2,1-2H3/b13-6+
InChIKeyZGRHMBVGYCBIFI-AWNIVKPZSA-N
XLogP6.09
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.95
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine (CID 70848575) is 3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine is CCC/C=C(\C)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine?
The InChIKey is ZGRHMBVGYCBIFI-AWNIVKPZSA-N. The full InChI is InChI=1S/C19H18ClNO2S2/c1-3-4-6-13(2)25(22,23)19-17(14-8-10-15(20)11-9-14)16-7-5-12-21-18(16)24-19/h5-12H,3-4H2,1-2H3/b13-6+.
What are the key properties of 3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine?
3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine has a molecular weight of 391.95 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(E)-hex-2-en-2-yl]sulfonylthieno[2,3-b]pyridine is sourced from PubChem (CID 70848575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).