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

C15H20FN3O2S — CID 84599040

IUPAC4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1nccn1CC(C)C
InChIInChI=1S/C15H20FN3O2S/c1-11(2)10-19-7-6-17-15(19)9-18-22(20,21)14-5-4-13(16)8-12(14)3/h4-8,11,18H,9-10H2,1-3H3
InChIKeyYEEOLZUJLNPIDL-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.47
Rot. Bonds6

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

4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide (PubChem CID 84599040) has the molecular formula C15H20FN3O2S and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
PubChem CID84599040
Molecular FormulaC15H20FN3O2S
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC Name4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1nccn1CC(C)C
InChIInChI=1S/C15H20FN3O2S/c1-11(2)10-19-7-6-17-15(19)9-18-22(20,21)14-5-4-13(16)8-12(14)3/h4-8,11,18H,9-10H2,1-3H3
InChIKeyYEEOLZUJLNPIDL-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(p-Toluenesulfonyl)imidazole
CID 75219
1-(2',4',6'-Triisopropylbenzenesulfonyl)imidazole
CID 521274
N-(3-Imidazol-1-yl-propyl)-2,3,5,6-tetramethyl-benzenesulfonamide
CID 2991266
N-[3-(1H-imidazol-1-yl)propyl]-2,4,5-trimethylbenzene-1-sulfonamide
CID 2992689
1-(3,4-Dimethylbenzenesulfonyl)-2-ethyl-1H-imidazole
CID 645505
1-Ethyl-3-methylimidazolium p-Toluenesulfonate
CID 10636633
1-((2,4,6-Trimethylphenyl)sulphonyl)-1H-imidazole
CID 99556
N-isopropyl-4-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide
CID 6603520
1-(4-Fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048499
3-(Imidazol-1-ylmethyl)-1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 127048838
1-(4-Fluoro-2-methylphenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127048841
1-(3,4-Difluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127050749

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide (CID 84599040) is 4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1nccn1CC(C)C.
What is the InChIKey of 4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is YEEOLZUJLNPIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2S/c1-11(2)10-19-7-6-17-15(19)9-18-22(20,21)14-5-4-13(16)8-12(14)3/h4-8,11,18H,9-10H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 325.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 84599040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).