4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide

C15H17FN4O2S — CID 75451074

IUPAC4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
SMILESCC(C)Cn1ccnc1CNS(=O)(=O)c1ccc(C#N)cc1F
InChIInChI=1S/C15H17FN4O2S/c1-11(2)10-20-6-5-18-15(20)9-19-23(21,22)14-4-3-12(8-17)7-13(14)16/h3-7,11,19H,9-10H2,1-2H3
InChIKeyWRILEOMIHCTVCY-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.03
Rot. Bonds6

About 4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide

4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide (PubChem CID 75451074) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
PubChem CID75451074
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
SMILESCC(C)Cn1ccnc1CNS(=O)(=O)c1ccc(C#N)cc1F
InChIInChI=1S/C15H17FN4O2S/c1-11(2)10-20-6-5-18-15(20)9-19-23(21,22)14-4-3-12(8-17)7-13(14)16/h3-7,11,19H,9-10H2,1-2H3
InChIKeyWRILEOMIHCTVCY-UHFFFAOYSA-N
XLogP2.03
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide (CID 75451074) is 4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide is CC(C)Cn1ccnc1CNS(=O)(=O)c1ccc(C#N)cc1F.
What is the InChIKey of 4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is WRILEOMIHCTVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-11(2)10-20-6-5-18-15(20)9-19-23(21,22)14-4-3-12(8-17)7-13(14)16/h3-7,11,19H,9-10H2,1-2H3.
What are the key properties of 4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide?
4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 336.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 75451074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).