3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol

C21H17N3O4S — CID 56683747

IUPAC3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol
SMILESCOc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2cccc(O)c2)cc1
InChIInChI=1S/C21H17N3O4S/c1-28-16-9-11-17(12-10-16)29(26,27)21-20(22-14-5-4-6-15(25)13-14)23-18-7-2-3-8-19(18)24-21/h2-13,25H,1H3,(H,22,23)
InChIKeyZCUMWJCEHMSQTN-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.92
Rot. Bonds5

About 3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol

3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol (PubChem CID 56683747) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol
PubChem CID56683747
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol
SMILESCOc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2cccc(O)c2)cc1
InChIInChI=1S/C21H17N3O4S/c1-28-16-9-11-17(12-10-16)29(26,27)21-20(22-14-5-4-6-15(25)13-14)23-18-7-2-3-8-19(18)24-21/h2-13,25H,1H3,(H,22,23)
InChIKeyZCUMWJCEHMSQTN-UHFFFAOYSA-N
XLogP3.92
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol?
The IUPAC name of 3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol (CID 56683747) is 3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol?
The canonical SMILES for 3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol is COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2cccc(O)c2)cc1.
What is the InChIKey of 3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol?
The InChIKey is ZCUMWJCEHMSQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-28-16-9-11-17(12-10-16)29(26,27)21-20(22-14-5-4-6-15(25)13-14)23-18-7-2-3-8-19(18)24-21/h2-13,25H,1H3,(H,22,23).
What are the key properties of 3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol?
3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol has a molecular weight of 407.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol is sourced from PubChem (CID 56683747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).