2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide

C22H17N3O4S — CID 78319557

IUPAC2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3nc2Oc2ccccc2)c1
InChIInChI=1S/C22H17N3O4S/c23-30(27,28)18-11-6-8-16(14-18)24-21(26)19-13-15-7-4-5-12-20(15)25-22(19)29-17-9-2-1-3-10-17/h1-14H,(H,24,26)(H2,23,27,28)
InChIKeyLBDGGIUDYRLMHK-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.93
Rot. Bonds5

About 2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide

2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide (PubChem CID 78319557) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
PubChem CID78319557
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC Name2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3nc2Oc2ccccc2)c1
InChIInChI=1S/C22H17N3O4S/c23-30(27,28)18-11-6-8-16(14-18)24-21(26)19-13-15-7-4-5-12-20(15)25-22(19)29-17-9-2-1-3-10-17/h1-14H,(H,24,26)(H2,23,27,28)
InChIKeyLBDGGIUDYRLMHK-UHFFFAOYSA-N
XLogP3.93
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide (CID 78319557) is 2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3nc2Oc2ccccc2)c1.
What is the InChIKey of 2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The InChIKey is LBDGGIUDYRLMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c23-30(27,28)18-11-6-8-16(14-18)24-21(26)19-13-15-7-4-5-12-20(15)25-22(19)29-17-9-2-1-3-10-17/h1-14H,(H,24,26)(H2,23,27,28).
What are the key properties of 2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(3-sulfamoylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 78319557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).