MZHCKLPDXYJXJC-UHFFFAOYSA-N

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

C₂₃H₁₇ClF₃NO₆S — CID 151156173

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

IUPAC5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one

SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1

InChIInChI=1S/C23H17ClF3NO6S/c1-32-14-8-10-20(19(12-14)34-23(25,26)27)35(30,31)28-17-9-7-13(24)11-16(17)21(22(28)29)15-5-3-4-6-18(15)33-2/h3-12,21H,1-2H3

InChIKeyMZHCKLPDXYJXJC-UHFFFAOYSA-N

MW527.90 g/mol

LogP5.12

Rot. Bonds6

About MZHCKLPDXYJXJC-UHFFFAOYSA-N

MZHCKLPDXYJXJC-UHFFFAOYSA-N (PubChem CID 151156173) has the molecular formula C₂₃H₁₇ClF₃NO₆S and a molecular weight of 527.90 g/mol. Its IUPAC name is 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one.

Molecular Properties

Compound Name	MZHCKLPDXYJXJC-UHFFFAOYSA-N
PubChem CID	151156173
Molecular Formula	C₂₃H₁₇ClF₃NO₆S
Molecular Weight	527.90 g/mol
Exact Mass	527.04
IUPAC Name	5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one
SMILES	COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1
InChI	InChI=1S/C23H17ClF3NO6S/c1-32-14-8-10-20(19(12-14)34-23(25,26)27)35(30,31)28-17-9-7-13(24)11-16(17)21(22(28)29)15-5-3-4-6-18(15)33-2/h3-12,21H,1-2H3
InChIKey	MZHCKLPDXYJXJC-UHFFFAOYSA-N
XLogP	5.12
TPSA	82.14 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.90
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of MZHCKLPDXYJXJC-UHFFFAOYSA-N (CID 151156173) is 5-chloro-3-(2-methoxyphenyl)-1-[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl-3H-indol-2-one.

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

The canonical SMILES for MZHCKLPDXYJXJC-UHFFFAOYSA-N is COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)c3cc(Cl)ccc32)c(OC(F)(F)F)c1.

What is the InChIKey of MZHCKLPDXYJXJC-UHFFFAOYSA-N?

The InChIKey is MZHCKLPDXYJXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3NO6S/c1-32-14-8-10-20(19(12-14)34-23(25,26)27)35(30,31)28-17-9-7-13(24)11-16(17)21(22(28)29)15-5-3-4-6-18(15)33-2/h3-12,21H,1-2H3.

What are the key properties of MZHCKLPDXYJXJC-UHFFFAOYSA-N?

MZHCKLPDXYJXJC-UHFFFAOYSA-N has a molecular weight of 527.90 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for MZHCKLPDXYJXJC-UHFFFAOYSA-N is sourced from PubChem (CID 151156173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151156173 — identifiers, structure, computed properties (public domain)

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