7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine

C21H18N2O4S — CID 50940180

IUPAC7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(-c2nccc3ccn(S(=O)(=O)c4ccc(OC)cc4)c23)cc1
InChIInChI=1S/C21H18N2O4S/c1-26-17-5-3-15(4-6-17)20-21-16(11-13-22-20)12-14-23(21)28(24,25)19-9-7-18(27-2)8-10-19/h3-14H,1-2H3
InChIKeyDTSJHBSGEZFUEK-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.96
Rot. Bonds5

About 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine

7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine (PubChem CID 50940180) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
PubChem CID50940180
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(-c2nccc3ccn(S(=O)(=O)c4ccc(OC)cc4)c23)cc1
InChIInChI=1S/C21H18N2O4S/c1-26-17-5-3-15(4-6-17)20-21-16(11-13-22-20)12-14-23(21)28(24,25)19-9-7-18(27-2)8-10-19/h3-14H,1-2H3
InChIKeyDTSJHBSGEZFUEK-UHFFFAOYSA-N
XLogP3.96
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine?
The IUPAC name of 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine (CID 50940180) is 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine is COc1ccc(-c2nccc3ccn(S(=O)(=O)c4ccc(OC)cc4)c23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine?
The InChIKey is DTSJHBSGEZFUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-26-17-5-3-15(4-6-17)20-21-16(11-13-22-20)12-14-23(21)28(24,25)19-9-7-18(27-2)8-10-19/h3-14H,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine?
7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine has a molecular weight of 394.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 50940180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).