N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide

C17H15FN2O5S — CID 113082397

IUPACN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2C(=O)c3cccc(F)c3C2=O)cc1
InChIInChI=1S/C17H15FN2O5S/c1-25-11-5-7-12(8-6-11)26(23,24)19-9-10-20-16(21)13-3-2-4-14(18)15(13)17(20)22/h2-8,19H,9-10H2,1H3
InChIKeyBXEHTJQHNIQCQE-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.41
Rot. Bonds6

About N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide

N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 113082397) has the molecular formula C17H15FN2O5S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID113082397
Molecular FormulaC17H15FN2O5S
Molecular Weight378.38 g/mol
Exact Mass378.07
IUPAC NameN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2C(=O)c3cccc(F)c3C2=O)cc1
InChIInChI=1S/C17H15FN2O5S/c1-25-11-5-7-12(8-6-11)26(23,24)19-9-10-20-16(21)13-3-2-4-14(18)15(13)17(20)22/h2-8,19H,9-10H2,1H3
InChIKeyBXEHTJQHNIQCQE-UHFFFAOYSA-N
XLogP1.41
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.41
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-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide
CID 113082410
N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
CID 168878182
N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113082089
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide
CID 113083500
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411
4-methoxy-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4204453
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 113082355
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide (CID 113082397) is N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCN2C(=O)c3cccc(F)c3C2=O)cc1.
What is the InChIKey of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is BXEHTJQHNIQCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O5S/c1-25-11-5-7-12(8-6-11)26(23,24)19-9-10-20-16(21)13-3-2-4-14(18)15(13)17(20)22/h2-8,19H,9-10H2,1H3.
What are the key properties of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide?
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 378.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113082397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).