4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide

C9H11Br2N3O3S2 — CID 3800671

IUPAC4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1NCCN1CCNS(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H11Br2N3O3S2/c10-6-5-7(18-8(6)11)19(16,17)13-2-4-14-3-1-12-9(14)15/h5,13H,1-4H2,(H,12,15)
InChIKeyXZEDJWMMGLJWES-UHFFFAOYSA-N
MW433.15 g/mol
LogP1.58
Rot. Bonds5

About 4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide

4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 3800671) has the molecular formula C9H11Br2N3O3S2 and a molecular weight of 433.15 g/mol. Its IUPAC name is 4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID3800671
Molecular FormulaC9H11Br2N3O3S2
Molecular Weight433.15 g/mol
Exact Mass430.86
IUPAC Name4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1NCCN1CCNS(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H11Br2N3O3S2/c10-6-5-7(18-8(6)11)19(16,17)13-2-4-14-3-1-12-9(14)15/h5,13H,1-4H2,(H,12,15)
InChIKeyXZEDJWMMGLJWES-UHFFFAOYSA-N
XLogP1.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.15
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide (CID 3800671) is 4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide is O=C1NCCN1CCNS(=O)(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is XZEDJWMMGLJWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N3O3S2/c10-6-5-7(18-8(6)11)19(16,17)13-2-4-14-3-1-12-9(14)15/h5,13H,1-4H2,(H,12,15).
What are the key properties of 4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide?
4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 433.15 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3800671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).