3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

C11H13ClFN3O3S — CID 2810871

IUPAC3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C1NCCN1CCNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFN3O3S/c12-9-7-8(1-2-10(9)13)20(18,19)15-4-6-16-5-3-14-11(16)17/h1-2,7,15H,3-6H2,(H,14,17)
InChIKeyIITLMTLWVWPJAU-UHFFFAOYSA-N
MW321.76 g/mol
LogP0.78
Rot. Bonds5

About 3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 2810871) has the molecular formula C11H13ClFN3O3S and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
PubChem CID2810871
Molecular FormulaC11H13ClFN3O3S
Molecular Weight321.76 g/mol
Exact Mass321.04
IUPAC Name3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C1NCCN1CCNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFN3O3S/c12-9-7-8(1-2-10(9)13)20(18,19)15-4-6-16-5-3-14-11(16)17/h1-2,7,15H,3-6H2,(H,14,17)
InChIKeyIITLMTLWVWPJAU-UHFFFAOYSA-N
XLogP0.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (CID 2810871) is 3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is O=C1NCCN1CCNS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is IITLMTLWVWPJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O3S/c12-9-7-8(1-2-10(9)13)20(18,19)15-4-6-16-5-3-14-11(16)17/h1-2,7,15H,3-6H2,(H,14,17).
What are the key properties of 3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 321.76 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2810871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).