N-ethyl-9,10-dioxoanthracene-2-sulfonamide

C16H13NO4S — CID 16832109

IUPACN-ethyl-9,10-dioxoanthracene-2-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13NO4S/c1-2-17-22(20,21)10-7-8-13-14(9-10)16(19)12-6-4-3-5-11(12)15(13)18/h3-9,17H,2H2,1H3
InChIKeyUUPNXGUFEOXHEL-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.76
Rot. Bonds3

About N-ethyl-9,10-dioxoanthracene-2-sulfonamide

N-ethyl-9,10-dioxoanthracene-2-sulfonamide (PubChem CID 16832109) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-ethyl-9,10-dioxoanthracene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-9,10-dioxoanthracene-2-sulfonamide
PubChem CID16832109
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC NameN-ethyl-9,10-dioxoanthracene-2-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13NO4S/c1-2-17-22(20,21)10-7-8-13-14(9-10)16(19)12-6-4-3-5-11(12)15(13)18/h3-9,17H,2H2,1H3
InChIKeyUUPNXGUFEOXHEL-UHFFFAOYSA-N
XLogP1.76
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-9,10-dioxoanthracene-2-sulfonamide
CID 18592937
2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
CID 3417830
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
CID 3694272
N-ethyl-9,10-dioxoanthracene-1-sulfonamide
CID 3256725
bis(9,10-dioxoanthracene-2-sulfonate);trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
CID 21408147
2-N,6-N-bis(1-hydroxybutan-2-yl)-9,10-dioxoanthracene-2,6-disulfonamide
CID 4568672
9,10-dioxoanthracene-2,7-disulfonate
CID 3731589
9,10-dioxoanthracene-2-sulfonic acid;hydrate
CID 87345179
anthracene-9,10-dione;propane
CID 162068050
N-(2-methylcyclohexyl)-9,10-dioxoanthracene-2-sulfonamide
CID 172880571
ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate
CID 5011589
2-propylanthracene-9,10-dione
CID 22643716

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9,10-dioxoanthracene-2-sulfonamide?
The IUPAC name of N-ethyl-9,10-dioxoanthracene-2-sulfonamide (CID 16832109) is N-ethyl-9,10-dioxoanthracene-2-sulfonamide.
What is the SMILES notation for N-ethyl-9,10-dioxoanthracene-2-sulfonamide?
The canonical SMILES for N-ethyl-9,10-dioxoanthracene-2-sulfonamide is CCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-ethyl-9,10-dioxoanthracene-2-sulfonamide?
The InChIKey is UUPNXGUFEOXHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-2-17-22(20,21)10-7-8-13-14(9-10)16(19)12-6-4-3-5-11(12)15(13)18/h3-9,17H,2H2,1H3.
What are the key properties of N-ethyl-9,10-dioxoanthracene-2-sulfonamide?
N-ethyl-9,10-dioxoanthracene-2-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9,10-dioxoanthracene-2-sulfonamide is sourced from PubChem (CID 16832109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).