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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
CID 84599040
4-fluoro-3-[[2-[(2-methylpropylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66402493
3-fluoro-4-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 62222708
2-[(dimethylsulfamoylamino)methyl]-1-(2-methylpropyl)imidazole
CID 84598575
4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 75441801
4-bromo-N-[(4-cyanophenyl)methyl]-2-fluorobenzenesulfonamide
CID 116527503
5-cyano-2-methyl-N-[3-(2-methylimidazol-1-yl)propyl]benzenesulfonamide
CID 56790972
4-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 63359624
3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile
CID 62352424
2-chloro-4-cyano-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 103989029
N-[(4-cyano-2-fluorophenyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 104709881
2-amino-4-cyano-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64899351

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).