5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide

C23H16BrClN2O6S — CID 10816762

IUPAC5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc(Br)c2cc(C(=O)Nc3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)c(=O)oc12
InChIInChI=1S/C23H16BrClN2O6S/c1-32-20-11-10-17(24)15-12-16(23(29)33-21(15)20)22(28)26-18-4-2-3-5-19(18)27-34(30,31)14-8-6-13(25)7-9-14/h2-12,27H,1H3,(H,26,28)
InChIKeyHVQOIZAYGQVGPT-UHFFFAOYSA-N
MW563.81 g/mol
LogP5.27
Rot. Bonds6

About 5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide

5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 10816762) has the molecular formula C23H16BrClN2O6S and a molecular weight of 563.81 g/mol. Its IUPAC name is 5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID10816762
Molecular FormulaC23H16BrClN2O6S
Molecular Weight563.81 g/mol
Exact Mass561.96
IUPAC Name5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc(Br)c2cc(C(=O)Nc3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)c(=O)oc12
InChIInChI=1S/C23H16BrClN2O6S/c1-32-20-11-10-17(24)15-12-16(23(29)33-21(15)20)22(28)26-18-4-2-3-5-19(18)27-34(30,31)14-8-6-13(25)7-9-14/h2-12,27H,1H3,(H,26,28)
InChIKeyHVQOIZAYGQVGPT-UHFFFAOYSA-N
XLogP5.27
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.81
LogP ≤ 55.27
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-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10578108
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide
CID 3290288
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
CID 18575745
5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 21065058
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 100794843
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methoxynaphthalen-1-yl)benzamide
CID 121044893
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide (CID 10816762) is 5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide is COc1ccc(Br)c2cc(C(=O)Nc3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)c(=O)oc12.
What is the InChIKey of 5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is HVQOIZAYGQVGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrClN2O6S/c1-32-20-11-10-17(24)15-12-16(23(29)33-21(15)20)22(28)26-18-4-2-3-5-19(18)27-34(30,31)14-8-6-13(25)7-9-14/h2-12,27H,1H3,(H,26,28).
What are the key properties of 5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide?
5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 563.81 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 10816762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).