6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide

C16H10Cl2N2O5S — CID 1318003

IUPAC6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1
InChIInChI=1S/C16H10Cl2N2O5S/c17-9-5-8-6-12(16(22)25-14(8)13(18)7-9)15(21)20-10-1-3-11(4-2-10)26(19,23)24/h1-7H,(H,20,21)(H2,19,23,24)
InChIKeyFOVSVIQRZVFKFA-UHFFFAOYSA-N
MW413.24 g/mol
LogP3.00
Rot. Bonds3

About 6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide

6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide (PubChem CID 1318003) has the molecular formula C16H10Cl2N2O5S and a molecular weight of 413.24 g/mol. Its IUPAC name is 6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide
PubChem CID1318003
Molecular FormulaC16H10Cl2N2O5S
Molecular Weight413.24 g/mol
Exact Mass411.97
IUPAC Name6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1
InChIInChI=1S/C16H10Cl2N2O5S/c17-9-5-8-6-12(16(22)25-14(8)13(18)7-9)15(21)20-10-1-3-11(4-2-10)26(19,23)24/h1-7H,(H,20,21)(H2,19,23,24)
InChIKeyFOVSVIQRZVFKFA-UHFFFAOYSA-N
XLogP3.00
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,8-dichloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 2283975
6,8-dibromo-N-(4-chlorophenyl)-2-oxochromene-3-carboxamide
CID 1111841
6,8-dichloro-3-(6,8-dichloro-2-oxochromene-3-carbonyl)chromen-2-one
CID 12002419
6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 19289000
methyl 6,8-dichloro-2-oxochromene-3-carboxylate
CID 75527754
6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1264879
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
CID 103988954
2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 175811083
6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 100795015
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
8-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxochromene-3-carboxamide
CID 100794839

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide (CID 1318003) is 6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1.
What is the InChIKey of 6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
The InChIKey is FOVSVIQRZVFKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O5S/c17-9-5-8-6-12(16(22)25-14(8)13(18)7-9)15(21)20-10-1-3-11(4-2-10)26(19,23)24/h1-7H,(H,20,21)(H2,19,23,24).
What are the key properties of 6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide?
6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide has a molecular weight of 413.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-oxo-N-(4-sulfamoylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 1318003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).