(5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate

C24H15NO5S — CID 118409291

IUPAC(5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1OS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H15NO5S/c26-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24(27)25(23)30-31(28,29)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H
InChIKeyKNYIRKZQOPBSPB-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.49
Rot. Bonds3

About (5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate

(5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate (PubChem CID 118409291) has the molecular formula C24H15NO5S and a molecular weight of 429.45 g/mol. Its IUPAC name is (5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate.

Molecular Properties

Compound Name(5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate
PubChem CID118409291
Molecular FormulaC24H15NO5S
Molecular Weight429.45 g/mol
Exact Mass429.07
IUPAC Name(5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1OS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H15NO5S/c26-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24(27)25(23)30-31(28,29)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H
InChIKeyKNYIRKZQOPBSPB-UHFFFAOYSA-N
XLogP3.49
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl naphthalene-2-sulfonate
CID 54505211
methoxy naphthalene-2-sulfonate
CID 154112569
naphthalene-2-sulfonic acid
CID 8420
(2,10-dimethoxy-5,7-dioxobenzo[d][2]benzazepin-6-yl) 4-methylbenzenesulfonate
CID 118409335
hydrazinyl naphthalene-2-sulfonate
CID 87641318
(triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate
CID 87177204
CID 87246277
CID 87246277
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 88530425
CID 88530425
ethyl naphthalene-2-sulfonate;iron
CID 87451141
Dispersing Agent NNO
CID 156594502
(tetraphenyl-lambda5-stibanyl) naphthalene-2-sulfonate
CID 16691158

Frequently Asked Questions

What is the IUPAC name of (5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate?
The IUPAC name of (5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate (CID 118409291) is (5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate.
What is the SMILES notation for (5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate?
The canonical SMILES for (5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate is O=c1c2ccccc2c2ccccc2c(=O)n1OS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate?
The InChIKey is KNYIRKZQOPBSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO5S/c26-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24(27)25(23)30-31(28,29)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H.
What are the key properties of (5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate?
(5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate has a molecular weight of 429.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dioxobenzo[d][2]benzazepin-6-yl) naphthalene-2-sulfonate is sourced from PubChem (CID 118409291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).