3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid

C22H14N2O5S — CID 52874674

IUPAC3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C22H14N2O5S/c25-21-15-7-3-6-14-19(9-8-17(23-21)20(14)15)30(28,29)24-18-11-13-5-2-1-4-12(13)10-16(18)22(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeyXOPCFYFDBRUYMZ-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.06
Rot. Bonds4

About 3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid

3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid (PubChem CID 52874674) has the molecular formula C22H14N2O5S and a molecular weight of 418.43 g/mol. Its IUPAC name is 3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
PubChem CID52874674
Molecular FormulaC22H14N2O5S
Molecular Weight418.43 g/mol
Exact Mass418.06
IUPAC Name3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C22H14N2O5S/c25-21-15-7-3-6-14-19(9-8-17(23-21)20(14)15)30(28,29)24-18-11-13-5-2-1-4-12(13)10-16(18)22(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeyXOPCFYFDBRUYMZ-UHFFFAOYSA-N
XLogP4.06
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166179424
3,5-dimethyl-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzoic acid
CID 52861291
N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55662988
2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 52698680
N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 5189210
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 15942931
N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 134025383
N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 60588923
2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55895579
2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55896537
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 52699604

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid (CID 52874674) is 3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of 3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid?
The InChIKey is XOPCFYFDBRUYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O5S/c25-21-15-7-3-6-14-19(9-8-17(23-21)20(14)15)30(28,29)24-18-11-13-5-2-1-4-12(13)10-16(18)22(26)27/h1-11,24H,(H,23,25)(H,26,27).
What are the key properties of 3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid?
3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid has a molecular weight of 418.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 52874674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).