N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C17H12N2O4S — CID 726605

IUPACN-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccccc3O)c3cccc1c23
InChIInChI=1S/C17H12N2O4S/c20-14-7-2-1-6-12(14)19-24(22,23)15-9-8-13-16-10(15)4-3-5-11(16)17(21)18-13/h1-9,19-20H,(H,18,21)
InChIKeyXPUJOCSUKNFBGV-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.91
Rot. Bonds3

About N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 726605) has the molecular formula C17H12N2O4S and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID726605
Molecular FormulaC17H12N2O4S
Molecular Weight340.36 g/mol
Exact Mass340.05
IUPAC NameN-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccccc3O)c3cccc1c23
InChIInChI=1S/C17H12N2O4S/c20-14-7-2-1-6-12(14)19-24(22,23)15-9-8-13-16-10(15)4-3-5-11(16)17(21)18-13/h1-9,19-20H,(H,18,21)
InChIKeyXPUJOCSUKNFBGV-UHFFFAOYSA-N
XLogP2.91
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 726605) is N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccccc3O)c3cccc1c23.
What is the InChIKey of N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is XPUJOCSUKNFBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4S/c20-14-7-2-1-6-12(14)19-24(22,23)15-9-8-13-16-10(15)4-3-5-11(16)17(21)18-13/h1-9,19-20H,(H,18,21).
What are the key properties of N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 340.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 726605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).