2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

C11H11BrFN3O2S — CID 65231327

IUPAC2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1ccc(F)cc1Br
InChIInChI=1S/C11H11BrFN3O2S/c12-10-5-8(13)1-2-11(10)19(17,18)16-4-3-9-6-14-7-15-9/h1-2,5-7,16H,3-4H2,(H,14,15)
InChIKeyGESLAJLUHLDTEO-UHFFFAOYSA-N
MW348.20 g/mol
LogP1.83
Rot. Bonds5

About 2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 65231327) has the molecular formula C11H11BrFN3O2S and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID65231327
Molecular FormulaC11H11BrFN3O2S
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC Name2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1ccc(F)cc1Br
InChIInChI=1S/C11H11BrFN3O2S/c12-10-5-8(13)1-2-11(10)19(17,18)16-4-3-9-6-14-7-15-9/h1-2,5-7,16H,3-4H2,(H,14,15)
InChIKeyGESLAJLUHLDTEO-UHFFFAOYSA-N
XLogP1.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106066538
3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231599
2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231462
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
3-amino-5-chloro-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 103051653
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methoxybenzenesulfonamide
CID 65231192
3-bromo-5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methoxybenzenesulfonamide
CID 65231743
2,5-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231103
3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464
5-(aminomethyl)-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 106066514
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
2-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761211

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 65231327) is 2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cnc[nH]1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is GESLAJLUHLDTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2S/c12-10-5-8(13)1-2-11(10)19(17,18)16-4-3-9-6-14-7-15-9/h1-2,5-7,16H,3-4H2,(H,14,15).
What are the key properties of 2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 348.20 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 65231327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).