N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide

C23H17BrN2O6S — CID 10578108

IUPACN-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3NS(=O)(=O)c3ccc(Br)cc3)c(=O)oc12
InChIInChI=1S/C23H17BrN2O6S/c1-31-20-8-4-5-14-13-17(23(28)32-21(14)20)22(27)25-18-6-2-3-7-19(18)26-33(29,30)16-11-9-15(24)10-12-16/h2-13,26H,1H3,(H,25,27)
InChIKeyTUVALGJLYMEWBY-UHFFFAOYSA-N
MW529.37 g/mol
LogP4.62
Rot. Bonds6

About N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide

N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 10578108) has the molecular formula C23H17BrN2O6S and a molecular weight of 529.37 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID10578108
Molecular FormulaC23H17BrN2O6S
Molecular Weight529.37 g/mol
Exact Mass528.00
IUPAC NameN-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccc3NS(=O)(=O)c3ccc(Br)cc3)c(=O)oc12
InChIInChI=1S/C23H17BrN2O6S/c1-31-20-8-4-5-14-13-17(23(28)32-21(14)20)22(27)25-18-6-2-3-7-19(18)26-33(29,30)16-11-9-15(24)10-12-16/h2-13,26H,1H3,(H,25,27)
InChIKeyTUVALGJLYMEWBY-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-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10816762
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide
CID 3290288
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
6-bromo-N-(2-hydroxyphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 1288481
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 66485426
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
6-bromo-8-methoxy-2-oxo-N-(2-phenoxyphenyl)chromene-3-carboxamide
CID 1045606

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide (CID 10578108) is N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccccc3NS(=O)(=O)c3ccc(Br)cc3)c(=O)oc12.
What is the InChIKey of N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is TUVALGJLYMEWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O6S/c1-31-20-8-4-5-14-13-17(23(28)32-21(14)20)22(27)25-18-6-2-3-7-19(18)26-33(29,30)16-11-9-15(24)10-12-16/h2-13,26H,1H3,(H,25,27).
What are the key properties of N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-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-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 10578108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).