2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide

C23H18FN3O4S — CID 78319556

IUPAC2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C23H18FN3O4S/c1-14-11-16(24)9-10-21(14)31-23-19(12-15-5-2-3-8-20(15)27-23)22(28)26-17-6-4-7-18(13-17)32(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30)
InChIKeyAQBLWAFKXHONQE-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.37
Rot. Bonds5

About 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide

2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide (PubChem CID 78319556) has the molecular formula C23H18FN3O4S and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
PubChem CID78319556
Molecular FormulaC23H18FN3O4S
Molecular Weight451.48 g/mol
Exact Mass451.10
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C23H18FN3O4S/c1-14-11-16(24)9-10-21(14)31-23-19(12-15-5-2-3-8-20(15)27-23)22(28)26-17-6-4-7-18(13-17)32(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30)
InChIKeyAQBLWAFKXHONQE-UHFFFAOYSA-N
XLogP4.37
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide (CID 78319556) is 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide is Cc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The InChIKey is AQBLWAFKXHONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4S/c1-14-11-16(24)9-10-21(14)31-23-19(12-15-5-2-3-8-20(15)27-23)22(28)26-17-6-4-7-18(13-17)32(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 78319556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).