5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide

C9H12BrN3O3S2 — CID 4996312

IUPAC5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1NCCN1CCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H12BrN3O3S2/c10-7-1-2-8(17-7)18(15,16)12-4-6-13-5-3-11-9(13)14/h1-2,12H,3-6H2,(H,11,14)
InChIKeyPXPAETAHIZDVHC-UHFFFAOYSA-N
MW354.25 g/mol
LogP0.81
Rot. Bonds5

About 5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 4996312) has the molecular formula C9H12BrN3O3S2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID4996312
Molecular FormulaC9H12BrN3O3S2
Molecular Weight354.25 g/mol
Exact Mass352.95
IUPAC Name5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1NCCN1CCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H12BrN3O3S2/c10-7-1-2-8(17-7)18(15,16)12-4-6-13-5-3-11-9(13)14/h1-2,12H,3-6H2,(H,11,14)
InChIKeyPXPAETAHIZDVHC-UHFFFAOYSA-N
XLogP0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 3800671
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride
CID 119966296
4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 2810723
5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721147
2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 715060
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 115638717
5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
CID 51330982
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide
CID 5016701

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide (CID 4996312) is 5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide is O=C1NCCN1CCNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PXPAETAHIZDVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3S2/c10-7-1-2-8(17-7)18(15,16)12-4-6-13-5-3-11-9(13)14/h1-2,12H,3-6H2,(H,11,14).
What are the key properties of 5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 354.25 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4996312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).