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

C20H19NO4S — CID 2829332

IUPACN-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C20H19NO4S/c22-19-15-8-4-5-9-16(15)20(23)18-12-14(10-11-17(18)19)26(24,25)21-13-6-2-1-3-7-13/h4-5,8-13,21H,1-3,6-7H2
InChIKeyHHBQPNSENVRBHV-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.07
Rot. Bonds3

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

N-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide (PubChem CID 2829332) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide
PubChem CID2829332
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC NameN-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc21
InChIInChI=1S/C20H19NO4S/c22-19-15-8-4-5-9-16(15)20(23)18-12-14(10-11-17(18)19)26(24,25)21-13-6-2-1-3-7-13/h4-5,8-13,21H,1-3,6-7H2
InChIKeyHHBQPNSENVRBHV-UHFFFAOYSA-N
XLogP3.07
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.07
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
6-(9,10-Dioxo-9,10-dihydroanthracene-1-sulfonamido)hexanoic acid
CID 7179208
2-Anthraquinonesulfonanilide
CID 344341
N-(2-hydroxyethyl)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide
CID 7122772
N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfonyl]glycine
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-cyclobutyl-9,10-dioxoanthracene-2-sulfonamide
CID 3870576
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-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide?
The IUPAC name of N-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide (CID 2829332) is N-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide.
What is the SMILES notation for N-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide?
The canonical SMILES for N-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide is O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc21.
What is the InChIKey of N-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide?
The InChIKey is HHBQPNSENVRBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c22-19-15-8-4-5-9-16(15)20(23)18-12-14(10-11-17(18)19)26(24,25)21-13-6-2-1-3-7-13/h4-5,8-13,21H,1-3,6-7H2.
What are the key properties of N-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide?
N-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide has a molecular weight of 369.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-9,10-dioxoanthracene-2-sulfonamide is sourced from PubChem (CID 2829332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).