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

C14H11FN2O4S2 — CID 113082410

IUPACN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1c2cccc(F)c2C(=O)N1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C14H11FN2O4S2/c15-10-4-1-3-9-12(10)14(19)17(13(9)18)7-6-16-23(20,21)11-5-2-8-22-11/h1-5,8,16H,6-7H2
InChIKeyPSSSACABZXZYKI-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.46
Rot. Bonds5

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

N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 113082410) has the molecular formula C14H11FN2O4S2 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID113082410
Molecular FormulaC14H11FN2O4S2
Molecular Weight354.38 g/mol
Exact Mass354.01
IUPAC NameN-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1c2cccc(F)c2C(=O)N1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C14H11FN2O4S2/c15-10-4-1-3-9-12(10)14(19)17(13(9)18)7-6-16-23(20,21)11-5-2-8-22-11/h1-5,8,16H,6-7H2
InChIKeyPSSSACABZXZYKI-UHFFFAOYSA-N
XLogP1.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide (CID 113082410) is N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide is O=C1c2cccc(F)c2C(=O)N1CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PSSSACABZXZYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4S2/c15-10-4-1-3-9-12(10)14(19)17(13(9)18)7-6-16-23(20,21)11-5-2-8-22-11/h1-5,8,16H,6-7H2.
What are the key properties of N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 354.38 g/mol, XLogP of 1.46, 5 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]thiophene-2-sulfonamide is sourced from PubChem (CID 113082410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).