N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide

C23H17BrN2O6S — CID 3290288

IUPACN-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H17BrN2O6S/c1-31-21-11-10-17(33(29,30)26-16-8-6-15(24)7-9-16)13-19(21)25-22(27)18-12-14-4-2-3-5-20(14)32-23(18)28/h2-13,26H,1H3,(H,25,27)
InChIKeyFUMPKWRDNWZLKO-UHFFFAOYSA-N
MW529.37 g/mol
LogP4.62
Rot. Bonds6

About N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide

N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide (PubChem CID 3290288) has the molecular formula C23H17BrN2O6S and a molecular weight of 529.37 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide
PubChem CID3290288
Molecular FormulaC23H17BrN2O6S
Molecular Weight529.37 g/mol
Exact Mass528.00
IUPAC NameN-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H17BrN2O6S/c1-31-21-11-10-17(33(29,30)26-16-8-6-15(24)7-9-16)13-19(21)25-22(27)18-12-14-4-2-3-5-20(14)32-23(18)28/h2-13,26H,1H3,(H,25,27)
InChIKeyFUMPKWRDNWZLKO-UHFFFAOYSA-N
XLogP4.62
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.37
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10578108
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 4874951
6-bromo-N-(5-tert-butyl-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 2102409
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 24571213
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
N-[(4-bromophenyl)carbamothioyl]-2-oxochromene-3-carboxamide
CID 2333906
3-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 43908127
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 167812473

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide (CID 3290288) is N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide is COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide?
The InChIKey is FUMPKWRDNWZLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O6S/c1-31-21-11-10-17(33(29,30)26-16-8-6-15(24)7-9-16)13-19(21)25-22(27)18-12-14-4-2-3-5-20(14)32-23(18)28/h2-13,26H,1H3,(H,25,27).
What are the key properties of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide?
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide has a molecular weight of 529.37 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3290288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).