4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide

C19H17FN2O5S — CID 41274475

IUPAC4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide
SMILESCN1C(=O)c2cccc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)c2C1=O
InChIInChI=1S/C19H17FN2O5S/c1-22-18(24)14-4-2-5-15(17(14)19(22)25)21-16(23)6-3-11-28(26,27)13-9-7-12(20)8-10-13/h2,4-5,7-10H,3,6,11H2,1H3,(H,21,23)
InChIKeyHJULNHBNQXHNGK-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.24
Rot. Bonds6

About 4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide

4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide (PubChem CID 41274475) has the molecular formula C19H17FN2O5S and a molecular weight of 404.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide
PubChem CID41274475
Molecular FormulaC19H17FN2O5S
Molecular Weight404.42 g/mol
Exact Mass404.08
IUPAC Name4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide
SMILESCN1C(=O)c2cccc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)c2C1=O
InChIInChI=1S/C19H17FN2O5S/c1-22-18(24)14-4-2-5-15(17(14)19(22)25)21-16(23)6-3-11-28(26,27)13-9-7-12(20)8-10-13/h2,4-5,7-10H,3,6,11H2,1H3,(H,21,23)
InChIKeyHJULNHBNQXHNGK-UHFFFAOYSA-N
XLogP2.24
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151686
4-ethylsulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
CID 7579477
3-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpropanamide
CID 7254373
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 18585984
4-(benzenesulfonyl)-N-(2,4-difluorophenyl)butanamide
CID 41273162
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)butanamide
CID 41273173
2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide
CID 8718997
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 7544230
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2,2-diphenylacetamide
CID 23937725

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide (CID 41274475) is 4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide is CN1C(=O)c2cccc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)c2C1=O.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide?
The InChIKey is HJULNHBNQXHNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5S/c1-22-18(24)14-4-2-5-15(17(14)19(22)25)21-16(23)6-3-11-28(26,27)13-9-7-12(20)8-10-13/h2,4-5,7-10H,3,6,11H2,1H3,(H,21,23).
What are the key properties of 4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide?
4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide has a molecular weight of 404.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)butanamide is sourced from PubChem (CID 41274475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).