N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide

C23H20N2O7S2 — CID 156580163

IUPACN-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1S(=O)(=O)Nc1ccccc1C
InChIInChI=1S/C23H20N2O7S2/c1-15-5-3-4-6-19(15)25-34(29,30)22-14-17(8-10-21(22)31-2)24-33(27,28)18-9-11-20-16(13-18)7-12-23(26)32-20/h3-14,24-25H,1-2H3
InChIKeyZRJZFMWDYGUQPE-UHFFFAOYSA-N
MW500.55 g/mol
LogP3.71
Rot. Bonds7

About N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide

N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide (PubChem CID 156580163) has the molecular formula C23H20N2O7S2 and a molecular weight of 500.55 g/mol. Its IUPAC name is N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide
PubChem CID156580163
Molecular FormulaC23H20N2O7S2
Molecular Weight500.55 g/mol
Exact Mass500.07
IUPAC NameN-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1S(=O)(=O)Nc1ccccc1C
InChIInChI=1S/C23H20N2O7S2/c1-15-5-3-4-6-19(15)25-34(29,30)22-14-17(8-10-21(22)31-2)24-33(27,28)18-9-11-20-16(13-18)7-12-23(26)32-20/h3-14,24-25H,1-2H3
InChIKeyZRJZFMWDYGUQPE-UHFFFAOYSA-N
XLogP3.71
TPSA131.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
ethane;2-methoxy-N-(3-methyl-2-oxochromen-6-yl)benzenesulfonamide;molecular hydrogen
CID 144547388
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978421
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-oxochromene-6-sulfonamide
CID 30782491
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzenesulfonamide
CID 112985917
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
2-(difluoromethyl)-4-methoxy-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 166397290
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 60578994
2-methyl-5-nitro-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 55865536
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide?
The IUPAC name of N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide (CID 156580163) is N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1S(=O)(=O)Nc1ccccc1C.
What is the InChIKey of N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide?
The InChIKey is ZRJZFMWDYGUQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O7S2/c1-15-5-3-4-6-19(15)25-34(29,30)22-14-17(8-10-21(22)31-2)24-33(27,28)18-9-11-20-16(13-18)7-12-23(26)32-20/h3-14,24-25H,1-2H3.
What are the key properties of N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide?
N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide has a molecular weight of 500.55 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(2-methylphenyl)sulfamoyl]phenyl]-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 156580163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).