N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide

C23H16FNO5S — CID 41151686

IUPACN-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H16FNO5S/c24-14-8-10-15(11-9-14)31(29,30)13-12-20(26)25-19-7-3-6-18-21(19)23(28)17-5-2-1-4-16(17)22(18)27/h1-11H,12-13H2,(H,25,26)
InChIKeyWCHOQUJFPWFULA-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.40
Rot. Bonds5

About N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide

N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 41151686) has the molecular formula C23H16FNO5S and a molecular weight of 437.45 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID41151686
Molecular FormulaC23H16FNO5S
Molecular Weight437.45 g/mol
Exact Mass437.07
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H16FNO5S/c24-14-8-10-15(11-9-14)31(29,30)13-12-20(26)25-19-7-3-6-18-21(19)23(28)17-5-2-1-4-16(17)22(18)27/h1-11H,12-13H2,(H,25,26)
InChIKeyWCHOQUJFPWFULA-UHFFFAOYSA-N
XLogP3.40
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpropanamide
CID 7254373
4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide
CID 41274475
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
CID 44614049
N-(9,10-dioxoanthracen-1-yl)decanamide
CID 4282760
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 8502565
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544372
3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 26727449
3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 18076702

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide (CID 41151686) is N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is WCHOQUJFPWFULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO5S/c24-14-8-10-15(11-9-14)31(29,30)13-12-20(26)25-19-7-3-6-18-21(19)23(28)17-5-2-1-4-16(17)22(18)27/h1-11H,12-13H2,(H,25,26).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 437.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 41151686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).