N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

C24H21N3O6S — CID 55791535

IUPACN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(=O)n(C)c3ccccc23)c1
InChIInChI=1S/C24H21N3O6S/c1-27-20-9-5-3-7-16(20)17(14-23(27)29)24(30)25-19-13-15(11-12-21(19)28)34(31,32)26-18-8-4-6-10-22(18)33-2/h3-14,26,28H,1-2H3,(H,25,30)
InChIKeyDOZFVOQQUAKAJS-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.31
Rot. Bonds6

About N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55791535) has the molecular formula C24H21N3O6S and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55791535
Molecular FormulaC24H21N3O6S
Molecular Weight479.51 g/mol
Exact Mass479.12
IUPAC NameN-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(=O)n(C)c3ccccc23)c1
InChIInChI=1S/C24H21N3O6S/c1-27-20-9-5-3-7-16(20)17(14-23(27)29)24(30)25-19-13-15(11-12-21(19)28)34(31,32)26-18-8-4-6-10-22(18)33-2/h3-14,26,28H,1-2H3,(H,25,30)
InChIKeyDOZFVOQQUAKAJS-UHFFFAOYSA-N
XLogP3.31
TPSA126.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43018799
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 24588243
3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24588283
4-(dimethylamino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 35994119
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55786997
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55377881
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761059
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 46683088
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46510189

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55791535) is N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(=O)n(C)c3ccccc23)c1.
What is the InChIKey of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is DOZFVOQQUAKAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6S/c1-27-20-9-5-3-7-16(20)17(14-23(27)29)24(30)25-19-13-15(11-12-21(19)28)34(31,32)26-18-8-4-6-10-22(18)33-2/h3-14,26,28H,1-2H3,(H,25,30).
What are the key properties of N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 479.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55791535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).