N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide

C17H17N3O6S2 — CID 123490847

IUPACN-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide
SMILESCNS(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1c(C)c2ccccc2oc1=O
InChIInChI=1S/C17H17N3O6S2/c1-11-12-7-3-5-9-14(12)26-17(21)16(11)20-27(22,23)15-10-6-4-8-13(15)19-28(24,25)18-2/h3-10,18-20H,1-2H3
InChIKeyZBYRAXOIFMZRNX-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.78
Rot. Bonds6

About N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide

N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide (PubChem CID 123490847) has the molecular formula C17H17N3O6S2 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide
PubChem CID123490847
Molecular FormulaC17H17N3O6S2
Molecular Weight423.47 g/mol
Exact Mass423.06
IUPAC NameN-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide
SMILESCNS(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1c(C)c2ccccc2oc1=O
InChIInChI=1S/C17H17N3O6S2/c1-11-12-7-3-5-9-14(12)26-17(21)16(11)20-27(22,23)15-10-6-4-8-13(15)19-28(24,25)18-2/h3-10,18-20H,1-2H3
InChIKeyZBYRAXOIFMZRNX-UHFFFAOYSA-N
XLogP1.78
TPSA134.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935188
N-(4-methyl-2-oxo-2H-chromen-7-yl)benzenesulfonamide
CID 2813126
N-(2,3-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 6473518
N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935157
N-(2-methoxyphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935598
N1-(6-{[(4-methylphenyl)sulfonyl]amino}-2-oxo-2H-chromen-3-yl)acetamide
CID 2798637
4-fluoro-N-(4-methyl-2-oxo-2H-chromen-7-yl)benzenesulfonamide
CID 2813127
N-[4-(Ethylamino)-2-oxo-2H-chromen-3-YL]-4-nitrobenzene-1-sulfonamide
CID 20108704
N-(4-{[2-Oxo-4-(propylamino)-2H-chromen-3-YL]sulfamoyl}phenyl)propanamide
CID 20950144
N-(4-{[4-(Cyclohexylamino)-2-oxo-2H-chromen-3-YL]sulfamoyl}phenyl)acetamide
CID 20959264
4-Methoxy-N-[4-(methylamino)-2-oxo-2H-chromen-3-YL]benzene-1-sulfonamide
CID 22432139
N,N-diethyl-3-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonamide
CID 135475570

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide?
The IUPAC name of N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide (CID 123490847) is N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide is CNS(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1c(C)c2ccccc2oc1=O.
What is the InChIKey of N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide?
The InChIKey is ZBYRAXOIFMZRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S2/c1-11-12-7-3-5-9-14(12)26-17(21)16(11)20-27(22,23)15-10-6-4-8-13(15)19-28(24,25)18-2/h3-10,18-20H,1-2H3.
What are the key properties of N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide?
N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide has a molecular weight of 423.47 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-3-yl)-2-(methylsulfamoylamino)benzenesulfonamide is sourced from PubChem (CID 123490847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).