N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide

C19H17N3O4S — CID 20917143

IUPACN-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc1
InChIInChI=1S/C19H17N3O4S/c1-3-12-4-6-13(7-5-12)21-27(24,25)14-8-9-16-15(10-14)18-17(19(23)26-16)20-11-22(18)2/h4-11,21H,3H2,1-2H3
InChIKeyYRZBUGCUIXTKGL-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.04
Rot. Bonds4

About N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide

N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide (PubChem CID 20917143) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
PubChem CID20917143
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc1
InChIInChI=1S/C19H17N3O4S/c1-3-12-4-6-13(7-5-12)21-27(24,25)14-8-9-16-15(10-14)18-17(19(23)26-16)20-11-22(18)2/h4-11,21H,3H2,1-2H3
InChIKeyYRZBUGCUIXTKGL-UHFFFAOYSA-N
XLogP3.04
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
CID 20917139
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
CID 129423737
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
N-(4-ethylphenyl)-3-[3-[(4-ethylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 160503977
4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide
CID 155927344
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-amino-N-(4-ethylphenyl)-3-methoxybenzenesulfonamide
CID 81441768
2-amino-N-(4-ethylphenyl)pyrimidine-5-sulfonamide
CID 62142790
4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683655
4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778807
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
4-ethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25048296

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide (CID 20917143) is N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide is CCc1ccc(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide?
The InChIKey is YRZBUGCUIXTKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-3-12-4-6-13(7-5-12)21-27(24,25)14-8-9-16-15(10-14)18-17(19(23)26-16)20-11-22(18)2/h4-11,21H,3H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide?
N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide has a molecular weight of 383.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide is sourced from PubChem (CID 20917143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).