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

C18H15NO4S — CID 3870576

IUPACN-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NC3CCC3)ccc21
InChIInChI=1S/C18H15NO4S/c20-17-13-6-1-2-7-14(13)18(21)16-10-12(8-9-15(16)17)24(22,23)19-11-4-3-5-11/h1-2,6-11,19H,3-5H2
InChIKeyLWHFJQXYCJDIPD-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.29
Rot. Bonds3

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

N-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide (PubChem CID 3870576) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide
PubChem CID3870576
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC NameN-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NC3CCC3)ccc21
InChIInChI=1S/C18H15NO4S/c20-17-13-6-1-2-7-14(13)18(21)16-10-12(8-9-15(16)17)24(22,23)19-11-4-3-5-11/h1-2,6-11,19H,3-5H2
InChIKeyLWHFJQXYCJDIPD-UHFFFAOYSA-N
XLogP2.29
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.29
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-tert-butyl-9,10-dioxoanthracene-2-sulfonamide
CID 2829333
N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide
CID 4112659
6-(9,10-Dioxo-9,10-dihydroanthracene-1-sulfonamido)hexanoic acid
CID 7179208
N-(2-hydroxyethyl)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide
CID 7122772
2-[(9,10-Dioxoanthracen-2-yl)sulfonylamino]acetic acid
CID 7122777
N-(1-cyanocyclopropyl)-9,10-dioxoanthracene-2-sulfonamide
CID 145983675
N-(1-methylcyclopropyl)-9,10-dioxoanthracene-2-sulfonamide
CID 145993230
N-methyl-9,10-dioxoanthracene-2-sulfonamide
CID 7113016
N-ethyl-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide
CID 16832109
N-(2-oxo-2-phenylethyl)naphthalene-2-sulfonamide
CID 24215032
N-(2-methoxyethyl)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide
CID 7164286
2-(9,10-Dioxo-9,10-dihydroanthracene-2-sulfonamido)butanoic acid
CID 18592936

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide?
The IUPAC name of N-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide (CID 3870576) is N-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide.
What is the SMILES notation for N-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide?
The canonical SMILES for N-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide is O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NC3CCC3)ccc21.
What is the InChIKey of N-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide?
The InChIKey is LWHFJQXYCJDIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c20-17-13-6-1-2-7-14(13)18(21)16-10-12(8-9-15(16)17)24(22,23)19-11-4-3-5-11/h1-2,6-11,19H,3-5H2.
What are the key properties of N-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide?
N-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide has a molecular weight of 341.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide is sourced from PubChem (CID 3870576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).