2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide

C9H9Br2N3O2S2 — CID 65231462

IUPAC2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1cc(Br)sc1Br
InChIInChI=1S/C9H9Br2N3O2S2/c10-8-3-7(9(11)17-8)18(15,16)14-2-1-6-4-12-5-13-6/h3-5,14H,1-2H2,(H,12,13)
InChIKeyIZPMYAKJBUAFEX-UHFFFAOYSA-N
MW415.13 g/mol
LogP2.52
Rot. Bonds5

About 2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide

2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 65231462) has the molecular formula C9H9Br2N3O2S2 and a molecular weight of 415.13 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
PubChem CID65231462
Molecular FormulaC9H9Br2N3O2S2
Molecular Weight415.13 g/mol
Exact Mass412.85
IUPAC Name2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1cc(Br)sc1Br
InChIInChI=1S/C9H9Br2N3O2S2/c10-8-3-7(9(11)17-8)18(15,16)14-2-1-6-4-12-5-13-6/h3-5,14H,1-2H2,(H,12,13)
InChIKeyIZPMYAKJBUAFEX-UHFFFAOYSA-N
XLogP2.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231103
2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231327
(2R)-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894416
2-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106066538
2,5-dibromo-N-propylthiophene-3-sulfonamide
CID 43212966
3-amino-5-chloro-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 103051653
3-bromo-5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methoxybenzenesulfonamide
CID 65231743
2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 65231952
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65231835
2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231081
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methoxybenzenesulfonamide
CID 65231192
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide
CID 106843930

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide (CID 65231462) is 2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide is O=S(=O)(NCCc1cnc[nH]1)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is IZPMYAKJBUAFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N3O2S2/c10-8-3-7(9(11)17-8)18(15,16)14-2-1-6-4-12-5-13-6/h3-5,14H,1-2H2,(H,12,13).
What are the key properties of 2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide?
2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 415.13 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 65231462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).