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

C23H18N2O5S — CID 3988955

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C23H18N2O5S/c1-25(18-10-3-2-4-11-18)31(28,29)19-12-7-9-17(15-19)24-22(26)20-14-16-8-5-6-13-21(16)30-23(20)27/h2-15H,1H3,(H,24,26)
InChIKeyGYQBKAVCZFZJIS-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.87
Rot. Bonds5

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

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide (PubChem CID 3988955) has the molecular formula C23H18N2O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
PubChem CID3988955
Molecular FormulaC23H18N2O5S
Molecular Weight434.47 g/mol
Exact Mass434.09
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C23H18N2O5S/c1-25(18-10-3-2-4-11-18)31(28,29)19-12-7-9-17(15-19)24-22(26)20-14-16-8-5-6-13-21(16)30-23(20)27/h2-15H,1H3,(H,24,26)
InChIKeyGYQBKAVCZFZJIS-UHFFFAOYSA-N
XLogP3.87
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 26896379
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-oxochromene-3-carboxamide
CID 3566147
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 3903461
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 17396939
N-(3-ethynylphenyl)-2-oxochromene-3-carboxamide
CID 2732913
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4290143
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide (CID 3988955) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is GYQBKAVCZFZJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S/c1-25(18-10-3-2-4-11-18)31(28,29)19-12-7-9-17(15-19)24-22(26)20-14-16-8-5-6-13-21(16)30-23(20)27/h2-15H,1H3,(H,24,26).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3988955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).