4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide

C20H16N4O7S2 — CID 155927344

IUPAC4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide
SMILESCc1ccc2oc(=O)c(S(=O)(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c(O)c2c1
InChIInChI=1S/C20H16N4O7S2/c1-12-3-8-16-15(11-12)17(25)18(19(26)31-16)33(29,30)23-13-4-6-14(7-5-13)32(27,28)24-20-21-9-2-10-22-20/h2-11,23,25H,1H3,(H,21,22,24)
InChIKeyFLLOBIVYZOVRMZ-UHFFFAOYSA-N
MW488.50 g/mol
LogP2.20
Rot. Bonds6

About 4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide

4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide (PubChem CID 155927344) has the molecular formula C20H16N4O7S2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide
PubChem CID155927344
Molecular FormulaC20H16N4O7S2
Molecular Weight488.50 g/mol
Exact Mass488.05
IUPAC Name4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide
SMILESCc1ccc2oc(=O)c(S(=O)(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c(O)c2c1
InChIInChI=1S/C20H16N4O7S2/c1-12-3-8-16-15(11-12)17(25)18(19(26)31-16)33(29,30)23-13-4-6-14(7-5-13)32(27,28)24-20-21-9-2-10-22-20/h2-11,23,25H,1H3,(H,21,22,24)
InChIKeyFLLOBIVYZOVRMZ-UHFFFAOYSA-N
XLogP2.20
TPSA168.56 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 19683803
2-(7-methyl-2-oxochromen-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 41126634
2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 6493238
N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide
CID 2798637
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
3-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510274
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
4-(2-bromo-4-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 19202578

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide?
The IUPAC name of 4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide (CID 155927344) is 4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide.
What is the SMILES notation for 4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide?
The canonical SMILES for 4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide is Cc1ccc2oc(=O)c(S(=O)(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c(O)c2c1.
What is the InChIKey of 4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide?
The InChIKey is FLLOBIVYZOVRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O7S2/c1-12-3-8-16-15(11-12)17(25)18(19(26)31-16)33(29,30)23-13-4-6-14(7-5-13)32(27,28)24-20-21-9-2-10-22-20/h2-11,23,25H,1H3,(H,21,22,24).
What are the key properties of 4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide?
4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide has a molecular weight of 488.50 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide is sourced from PubChem (CID 155927344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).