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

C24H29NO4S — CID 18592937

IUPACN-decyl-9,10-dioxoanthracene-2-sulfonamide
SMILESCCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H29NO4S/c1-2-3-4-5-6-7-8-11-16-25-30(28,29)18-14-15-21-22(17-18)24(27)20-13-10-9-12-19(20)23(21)26/h9-10,12-15,17,25H,2-8,11,16H2,1H3
InChIKeyHQXZWPZVTYPETF-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.88
Rot. Bonds11

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

N-decyl-9,10-dioxoanthracene-2-sulfonamide (PubChem CID 18592937) has the molecular formula C24H29NO4S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-decyl-9,10-dioxoanthracene-2-sulfonamide.

Molecular Properties

Compound NameN-decyl-9,10-dioxoanthracene-2-sulfonamide
PubChem CID18592937
Molecular FormulaC24H29NO4S
Molecular Weight427.57 g/mol
Exact Mass427.18
IUPAC NameN-decyl-9,10-dioxoanthracene-2-sulfonamide
SMILESCCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H29NO4S/c1-2-3-4-5-6-7-8-11-16-25-30(28,29)18-14-15-21-22(17-18)24(27)20-13-10-9-12-19(20)23(21)26/h9-10,12-15,17,25H,2-8,11,16H2,1H3
InChIKeyHQXZWPZVTYPETF-UHFFFAOYSA-N
XLogP4.88
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
CID 3417830
N-ethyl-9,10-dioxoanthracene-2-sulfonamide
CID 16832109
N-nonylnaphthalene-2-sulfonamide
CID 19681387
9-hydroxyimino-2-N,7-N-dioctadecylfluorene-2,7-disulfonamide
CID 21238299
N-tridecylbenzenesulfonamide
CID 3514704
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
hexadecyl-dimethyl-[3-(naphthalen-2-ylsulfonylamino)propyl]azanium
CID 171341490
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
3-nitro-N-octylbenzenesulfonamide
CID 19681347
3-(1-aminoethyl)-N-octylbenzenesulfonamide
CID 115569030

Frequently Asked Questions

What is the IUPAC name of N-decyl-9,10-dioxoanthracene-2-sulfonamide?
The IUPAC name of N-decyl-9,10-dioxoanthracene-2-sulfonamide (CID 18592937) is N-decyl-9,10-dioxoanthracene-2-sulfonamide.
What is the SMILES notation for N-decyl-9,10-dioxoanthracene-2-sulfonamide?
The canonical SMILES for N-decyl-9,10-dioxoanthracene-2-sulfonamide is CCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-decyl-9,10-dioxoanthracene-2-sulfonamide?
The InChIKey is HQXZWPZVTYPETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4S/c1-2-3-4-5-6-7-8-11-16-25-30(28,29)18-14-15-21-22(17-18)24(27)20-13-10-9-12-19(20)23(21)26/h9-10,12-15,17,25H,2-8,11,16H2,1H3.
What are the key properties of N-decyl-9,10-dioxoanthracene-2-sulfonamide?
N-decyl-9,10-dioxoanthracene-2-sulfonamide has a molecular weight of 427.57 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-9,10-dioxoanthracene-2-sulfonamide is sourced from PubChem (CID 18592937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).