4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide

C19H12BrNO6S — CID 141478539

IUPAC4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide
SMILESO=c1c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2oc2cc(O)cc(O)c12
InChIInChI=1S/C19H12BrNO6S/c20-10-1-4-13(5-2-10)28(25,26)21-11-3-6-16-14(7-11)19(24)18-15(23)8-12(22)9-17(18)27-16/h1-9,21-23H
InChIKeyIULMZFJYODWBRV-UHFFFAOYSA-N
MW462.28 g/mol
LogP3.92
Rot. Bonds3

About 4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide

4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide (PubChem CID 141478539) has the molecular formula C19H12BrNO6S and a molecular weight of 462.28 g/mol. Its IUPAC name is 4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide
PubChem CID141478539
Molecular FormulaC19H12BrNO6S
Molecular Weight462.28 g/mol
Exact Mass460.96
IUPAC Name4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide
SMILESO=c1c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2oc2cc(O)cc(O)c12
InChIInChI=1S/C19H12BrNO6S/c20-10-1-4-13(5-2-10)28(25,26)21-11-3-6-16-14(7-11)19(24)18-15(23)8-12(22)9-17(18)27-16/h1-9,21-23H
InChIKeyIULMZFJYODWBRV-UHFFFAOYSA-N
XLogP3.92
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.28
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
1,3-dihydroxyxanthen-9-one
CID 5488193
ethyl 5-[(4-bromophenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate
CID 127048856
4-but-3-enyl-N-(4-hydroxy-2-oxochromen-6-yl)benzenesulfonamide
CID 166397272
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid
CID 9235437
4-bromo-N-(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)benzenesulfonamide
CID 58168306
N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 171692220
N-(4-amino-3-nitrophenyl)-4-bromobenzenesulfonamide
CID 27993401
6,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
CID 175943536
3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 56688809

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide (CID 141478539) is 4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide is O=c1c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2oc2cc(O)cc(O)c12.
What is the InChIKey of 4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide?
The InChIKey is IULMZFJYODWBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrNO6S/c20-10-1-4-13(5-2-10)28(25,26)21-11-3-6-16-14(7-11)19(24)18-15(23)8-12(22)9-17(18)27-16/h1-9,21-23H.
What are the key properties of 4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide?
4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide has a molecular weight of 462.28 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6,8-dihydroxy-9-oxoxanthen-2-yl)benzenesulfonamide is sourced from PubChem (CID 141478539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).