N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide

C17H15NO5S — CID 7164286

IUPACN-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H15NO5S/c1-23-9-8-18-24(21,22)11-6-7-14-15(10-11)17(20)13-5-3-2-4-12(13)16(14)19/h2-7,10,18H,8-9H2,1H3
InChIKeyBCJSGDNHVXCVFQ-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.39
Rot. Bonds5

About N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide

N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide (PubChem CID 7164286) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide
PubChem CID7164286
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC NameN-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H15NO5S/c1-23-9-8-18-24(21,22)11-6-7-14-15(10-11)17(20)13-5-3-2-4-12(13)16(14)19/h2-7,10,18H,8-9H2,1H3
InChIKeyBCJSGDNHVXCVFQ-UHFFFAOYSA-N
XLogP1.39
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide (CID 7164286) is N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide is COCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
The InChIKey is BCJSGDNHVXCVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-23-9-8-18-24(21,22)11-6-7-14-15(10-11)17(20)13-5-3-2-4-12(13)16(14)19/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-9,10-dioxoanthracene-2-sulfonamide is sourced from PubChem (CID 7164286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).