5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid

C19H13N3O4S — CID 57390927

IUPAC5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESNS(=O)(=O)c1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1
InChIInChI=1S/C19H13N3O4S/c20-27(25,26)13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)(H2,20,25,26)
InChIKeyRORPKWCCIFRORN-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.80
Rot. Bonds3

About 5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid

5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 57390927) has the molecular formula C19H13N3O4S and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID57390927
Molecular FormulaC19H13N3O4S
Molecular Weight379.40 g/mol
Exact Mass379.06
IUPAC Name5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESNS(=O)(=O)c1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1
InChIInChI=1S/C19H13N3O4S/c20-27(25,26)13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)(H2,20,25,26)
InChIKeyRORPKWCCIFRORN-UHFFFAOYSA-N
XLogP2.80
TPSA123.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 57390927) is 5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is NS(=O)(=O)c1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1.
What is the InChIKey of 5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is RORPKWCCIFRORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4S/c20-27(25,26)13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)(H2,20,25,26).
What are the key properties of 5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 379.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 57390927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).