2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide

C16H12N2O5S — CID 917163

IUPAC2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C16H12N2O5S/c17-24(21,22)12-7-5-11(6-8-12)18-15(19)13-9-10-3-1-2-4-14(10)23-16(13)20/h1-9H,(H,18,19)(H2,17,21,22)
InChIKeyKBDJGOANWVXJGW-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.69
Rot. Bonds3

About 2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide

2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide (PubChem CID 917163) has the molecular formula C16H12N2O5S and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide
PubChem CID917163
Molecular FormulaC16H12N2O5S
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC Name2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C16H12N2O5S/c17-24(21,22)12-7-5-11(6-8-12)18-15(19)13-9-10-3-1-2-4-14(10)23-16(13)20/h1-9H,(H,18,19)(H2,17,21,22)
InChIKeyKBDJGOANWVXJGW-UHFFFAOYSA-N
XLogP1.69
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-p-tolyl-2H-chromene-3-carboxamide
CID 599290
N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 745287
N-(3-Methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599289
N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724196
N-(4-fluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 694612
N-(3-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724184
2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 341782
N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724200
6-methyl-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 10423722
2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide
CID 680602
3-Carboxamido coumarin, 22
CID 4914973
N-(2,4-Difluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599317

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide (CID 917163) is 2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The InChIKey is KBDJGOANWVXJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5S/c17-24(21,22)12-7-5-11(6-8-12)18-15(19)13-9-10-3-1-2-4-14(10)23-16(13)20/h1-9H,(H,18,19)(H2,17,21,22).
What are the key properties of 2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 917163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).