KKOMZBWXKOQQHU-UHFFFAOYSA-N

Name: KKOMZBWXKOQQHU-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₆N₂O₃S — CID 50940070

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 KKOMZBWXKOQQHU-UHFFFAOYSA-N

KKOMZBWXKOQQHU-UHFFFAOYSA-N (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 Name	KKOMZBWXKOQQHU-UHFFFAOYSA-N
PubChem CID	50940070
Molecular Formula	C₂₀H₁₆N₂O₃S
Molecular Weight	364.43 g/mol
Exact Mass	364.09
IUPAC Name	1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine
SMILES	COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccccc4)c32)cc1
InChI	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
InChIKey	KKOMZBWXKOQQHU-UHFFFAOYSA-N
XLogP	3.95
TPSA	61.19 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.43
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of KKOMZBWXKOQQHU-UHFFFAOYSA-N?

The IUPAC name of KKOMZBWXKOQQHU-UHFFFAOYSA-N (CID 50940070) is 1-(4-methoxyphenyl)sulfonyl-7-phenylpyrrolo[2,3-c]pyridine.

What is the SMILES notation for KKOMZBWXKOQQHU-UHFFFAOYSA-N?

The canonical SMILES for KKOMZBWXKOQQHU-UHFFFAOYSA-N is COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccccc4)c32)cc1.

What is the InChIKey of KKOMZBWXKOQQHU-UHFFFAOYSA-N?

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 KKOMZBWXKOQQHU-UHFFFAOYSA-N?

KKOMZBWXKOQQHU-UHFFFAOYSA-N 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 KKOMZBWXKOQQHU-UHFFFAOYSA-N is sourced from PubChem (CID 50940070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 50940070 — identifiers, structure, computed properties (public domain)

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