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

C16H13NO5S — CID 7122772

IUPACN-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCCO)ccc21
InChIInChI=1S/C16H13NO5S/c18-8-7-17-23(21,22)10-5-6-13-14(9-10)16(20)12-4-2-1-3-11(12)15(13)19/h1-6,9,17-18H,7-8H2
InChIKeySCECDYZDHPLRKY-UHFFFAOYSA-N
MW331.35 g/mol
LogP0.73
Rot. Bonds4

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

N-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide (PubChem CID 7122772) has the molecular formula C16H13NO5S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide
PubChem CID7122772
Molecular FormulaC16H13NO5S
Molecular Weight331.35 g/mol
Exact Mass331.05
IUPAC NameN-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCCO)ccc21
InChIInChI=1S/C16H13NO5S/c18-8-7-17-23(21,22)10-5-6-13-14(9-10)16(20)12-4-2-1-3-11(12)15(13)19/h1-6,9,17-18H,7-8H2
InChIKeySCECDYZDHPLRKY-UHFFFAOYSA-N
XLogP0.73
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide (CID 7122772) is N-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide is O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCCO)ccc21.
What is the InChIKey of N-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
The InChIKey is SCECDYZDHPLRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5S/c18-8-7-17-23(21,22)10-5-6-13-14(9-10)16(20)12-4-2-1-3-11(12)15(13)19/h1-6,9,17-18H,7-8H2.
What are the key properties of N-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
N-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide has a molecular weight of 331.35 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide is sourced from PubChem (CID 7122772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).