N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide

C23H18N2O6S — CID 4234537

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C23H18N2O6S/c1-30-21-12-5-3-10-19(21)25-32(28,29)17-9-6-8-16(14-17)24-22(26)18-13-15-7-2-4-11-20(15)31-23(18)27/h2-14,25H,1H3,(H,24,26)
InChIKeyXLTIEEXEARRRBX-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.85
Rot. Bonds6

About N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide (PubChem CID 4234537) has the molecular formula C23H18N2O6S and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
PubChem CID4234537
Molecular FormulaC23H18N2O6S
Molecular Weight450.47 g/mol
Exact Mass450.09
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C23H18N2O6S/c1-30-21-12-5-3-10-19(21)25-32(28,29)17-9-6-8-16(14-17)24-22(26)18-13-15-7-2-4-11-20(15)31-23(18)27/h2-14,25H,1H3,(H,24,26)
InChIKeyXLTIEEXEARRRBX-UHFFFAOYSA-N
XLogP3.85
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide (CID 4234537) is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is XLTIEEXEARRRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6S/c1-30-21-12-5-3-10-19(21)25-32(28,29)17-9-6-8-16(14-17)24-22(26)18-13-15-7-2-4-11-20(15)31-23(18)27/h2-14,25H,1H3,(H,24,26).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 4234537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).