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

C12H14FN3O2S — CID 65231139

IUPAC2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C12H14FN3O2S/c1-9-2-3-11(13)12(6-9)19(17,18)16-5-4-10-7-14-8-15-10/h2-3,6-8,16H,4-5H2,1H3,(H,14,15)
InChIKeyGHQPQDDIKRLJPJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.38
Rot. Bonds5

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

2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide (PubChem CID 65231139) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
PubChem CID65231139
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C12H14FN3O2S/c1-9-2-3-11(13)12(6-9)19(17,18)16-5-4-10-7-14-8-15-10/h2-3,6-8,16H,4-5H2,1H3,(H,14,15)
InChIKeyGHQPQDDIKRLJPJ-UHFFFAOYSA-N
XLogP1.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide (CID 65231139) is 2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NCCc2cnc[nH]2)c1.
What is the InChIKey of 2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide?
The InChIKey is GHQPQDDIKRLJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-9-2-3-11(13)12(6-9)19(17,18)16-5-4-10-7-14-8-15-10/h2-3,6-8,16H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide?
2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 65231139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).