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

C20H16N2O3S — CID 50940070

IUPAC1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccccc4)c32)cc1
InChIInChI=1S/C20H16N2O3S/c1-25-17-7-9-18(10-8-17)26(23,24)22-14-12-16-11-13-21-19(20(16)22)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyKKOMZBWXKOQQHU-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.95
Rot. Bonds4

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

1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine (PubChem CID 50940070) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine
PubChem CID50940070
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccccc4)c32)cc1
InChIInChI=1S/C20H16N2O3S/c1-25-17-7-9-18(10-8-17)26(23,24)22-14-12-16-11-13-21-19(20(16)22)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyKKOMZBWXKOQQHU-UHFFFAOYSA-N
XLogP3.95
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine (CID 50940070) is 1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine is COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccccc4)c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine?
The InChIKey is KKOMZBWXKOQQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-25-17-7-9-18(10-8-17)26(23,24)22-14-12-16-11-13-21-19(20(16)22)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine?
1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine has a molecular weight of 364.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 50940070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).