N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide

C21H18FNO3S — CID 7544372

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C21H18FNO3S/c22-16-7-9-17(10-8-16)27(25,26)13-12-20(24)23-19-11-6-15-5-4-14-2-1-3-18(19)21(14)15/h1-3,6-11H,4-5,12-13H2,(H,23,24)
InChIKeyLYYVYVWHZAVXEN-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.88
Rot. Bonds5

About N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide

N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 7544372) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID7544372
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C21H18FNO3S/c22-16-7-9-17(10-8-16)27(25,26)13-12-20(24)23-19-11-6-15-5-4-14-2-1-3-18(19)21(14)15/h1-3,6-11H,4-5,12-13H2,(H,23,24)
InChIKeyLYYVYVWHZAVXEN-UHFFFAOYSA-N
XLogP3.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpropanamide
CID 7254373
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838382
N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151686
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
CID 100500998
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133229238
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide
CID 100511475
N-(1,2-dihydroacenaphthylen-5-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678310
N-(1,2-dihydroacenaphthylen-5-yl)-4-(N-methylsulfonyl-2-phenoxyanilino)butanamide
CID 100503541
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide (CID 7544372) is N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is LYYVYVWHZAVXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/c22-16-7-9-17(10-8-16)27(25,26)13-12-20(24)23-19-11-6-15-5-4-14-2-1-3-18(19)21(14)15/h1-3,6-11H,4-5,12-13H2,(H,23,24).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 383.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 7544372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).