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

C11H12FN3O2S — CID 65231599

IUPAC3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1cccc(F)c1
InChIInChI=1S/C11H12FN3O2S/c12-9-2-1-3-11(6-9)18(16,17)15-5-4-10-7-13-8-14-10/h1-3,6-8,15H,4-5H2,(H,13,14)
InChIKeyCORWXQCQMTZIED-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.07
Rot. Bonds5

About 3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 65231599) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID65231599
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1cccc(F)c1
InChIInChI=1S/C11H12FN3O2S/c12-9-2-1-3-11(6-9)18(16,17)15-5-4-10-7-13-8-14-10/h1-3,6-8,15H,4-5H2,(H,13,14)
InChIKeyCORWXQCQMTZIED-UHFFFAOYSA-N
XLogP1.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464
2-bromo-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231327
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231853
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 65231514
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374
2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65230688
4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-3-nitrobenzenesulfonamide
CID 40559388
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzamide
CID 65231463
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
CID 65230879

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 65231599) is 3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cnc[nH]1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is CORWXQCQMTZIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c12-9-2-1-3-11(6-9)18(16,17)15-5-4-10-7-13-8-14-10/h1-3,6-8,15H,4-5H2,(H,13,14).
What are the key properties of 3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 65231599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).