2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide

C18H15FN2O5S — CID 55811495

IUPAC2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O5S/c1-10(27(25,26)13-6-3-11(19)4-7-13)16(22)20-12-5-8-14-15(9-12)18(24)21(2)17(14)23/h3-10H,1-2H3,(H,20,22)
InChIKeyNGUSRQVRSNIXGD-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.85
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide

2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (PubChem CID 55811495) has the molecular formula C18H15FN2O5S and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
PubChem CID55811495
Molecular FormulaC18H15FN2O5S
Molecular Weight390.39 g/mol
Exact Mass390.07
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O5S/c1-10(27(25,26)13-6-3-11(19)4-7-13)16(22)20-12-5-8-14-15(9-12)18(24)21(2)17(14)23/h3-10H,1-2H3,(H,20,22)
InChIKeyNGUSRQVRSNIXGD-UHFFFAOYSA-N
XLogP1.85
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.85
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-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide
CID 49168885
3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 62728074
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
CID 110732693
2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55810917
3-amino-3-hydroxyimino-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 76925740
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139582
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
2-(4-fluorophenyl)sulfonyl-N-(5-phenyl-2-pyridinyl)propanamide
CID 75416503
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide
CID 162395521
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55838586

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (CID 55811495) is 2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is CC(C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The InChIKey is NGUSRQVRSNIXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5S/c1-10(27(25,26)13-6-3-11(19)4-7-13)16(22)20-12-5-8-14-15(9-12)18(24)21(2)17(14)23/h3-10H,1-2H3,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide has a molecular weight of 390.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is sourced from PubChem (CID 55811495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).