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

C18H17NO6S — CID 7122773

IUPACN,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(CCO)CCO)ccc21
InChIInChI=1S/C18H17NO6S/c20-9-7-19(8-10-21)26(24,25)12-5-6-15-16(11-12)18(23)14-4-2-1-3-13(14)17(15)22/h1-6,11,20-21H,7-10H2
InChIKeyHJBWVHOKVTVLCH-UHFFFAOYSA-N
MW375.40 g/mol
LogP0.44
Rot. Bonds6

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

N,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide (PubChem CID 7122773) has the molecular formula C18H17NO6S and a molecular weight of 375.40 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide
PubChem CID7122773
Molecular FormulaC18H17NO6S
Molecular Weight375.40 g/mol
Exact Mass375.08
IUPAC NameN,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(CCO)CCO)ccc21
InChIInChI=1S/C18H17NO6S/c20-9-7-19(8-10-21)26(24,25)12-5-6-15-16(11-12)18(23)14-4-2-1-3-13(14)17(15)22/h1-6,11,20-21H,7-10H2
InChIKeyHJBWVHOKVTVLCH-UHFFFAOYSA-N
XLogP0.44
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide (CID 7122773) is N,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide is O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(CCO)CCO)ccc21.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
The InChIKey is HJBWVHOKVTVLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6S/c20-9-7-19(8-10-21)26(24,25)12-5-6-15-16(11-12)18(23)14-4-2-1-3-13(14)17(15)22/h1-6,11,20-21H,7-10H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide?
N,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide has a molecular weight of 375.40 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-9,10-dioxoanthracene-2-sulfonamide is sourced from PubChem (CID 7122773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).