1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine

C18H14N2O3S2 — CID 50940306

IUPAC1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(-c4cccs4)c32)cc1
InChIInChI=1S/C18H14N2O3S2/c1-23-14-4-6-15(7-5-14)25(21,22)20-11-9-13-8-10-19-17(18(13)20)16-3-2-12-24-16/h2-12H,1H3
InChIKeyVLQQKULGYCFLGJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.01
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine

1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine (PubChem CID 50940306) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine
PubChem CID50940306
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC Name1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(-c4cccs4)c32)cc1
InChIInChI=1S/C18H14N2O3S2/c1-23-14-4-6-15(7-5-14)25(21,22)20-11-9-13-8-10-19-17(18(13)20)16-3-2-12-24-16/h2-12H,1H3
InChIKeyVLQQKULGYCFLGJ-UHFFFAOYSA-N
XLogP4.01
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine (CID 50940306) is 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine is COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4cccs4)c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine?
The InChIKey is VLQQKULGYCFLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c1-23-14-4-6-15(7-5-14)25(21,22)20-11-9-13-8-10-19-17(18(13)20)16-3-2-12-24-16/h2-12H,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine?
1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine has a molecular weight of 370.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-ylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 50940306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).