2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide

C17H14N2O5S — CID 4572067

IUPAC2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H14N2O5S/c18-25(22,23)13-7-5-11(6-8-13)10-19-16(20)14-9-12-3-1-2-4-15(12)24-17(14)21/h1-9H,10H2,(H,19,20)(H2,18,22,23)
InChIKeyXFYVUTWRZYOMNA-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.37
Rot. Bonds4

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

2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide (PubChem CID 4572067) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide
PubChem CID4572067
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H14N2O5S/c18-25(22,23)13-7-5-11(6-8-13)10-19-16(20)14-9-12-3-1-2-4-15(12)24-17(14)21/h1-9H,10H2,(H,19,20)(H2,18,22,23)
InChIKeyXFYVUTWRZYOMNA-UHFFFAOYSA-N
XLogP1.37
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.37
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-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
CID 120587
2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 728535
2-oxo-N-(1-phenylethyl)-2H-chromene-3-carboxamide
CID 2788317
2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide
CID 2970501
2-oxo-N-(4-sulfamoylphenyl)-2H-chromene-3-carboxamide
CID 917163
N,N'-1,6-Hexanediylbis(2-oxo-2H-chromene-3-carboxamide)
CID 2054538
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-oxochromene-3-carboxamide
CID 76324493
N-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide
CID 709955
4-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713344
N-benzyl-N-(1,1-dioxidotetrahydro-3-thienyl)-2-oxo-2H-chromene-3-carboxamide
CID 2946073
(E)-N-[(2-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6249170
N-[4-(Cyclohexylamino)-2-oxo-2H-chromen-3-YL]-4-methylbenzene-1-sulfonamide
CID 24792888

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide (CID 4572067) is 2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide?
The InChIKey is XFYVUTWRZYOMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c18-25(22,23)13-7-5-11(6-8-13)10-19-16(20)14-9-12-3-1-2-4-15(12)24-17(14)21/h1-9H,10H2,(H,19,20)(H2,18,22,23).
What are the key properties of 2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide?
2-oxo-N-[(4-sulfamoylphenyl)methyl]chromene-3-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 1.37, 4 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)methyl]chromene-3-carboxamide is sourced from PubChem (CID 4572067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).