4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide

C17H16FN3O2S — CID 38013699

IUPAC4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S/c1-13-19-10-11-21(13)17-5-3-2-4-14(17)12-20-24(22,23)16-8-6-15(18)7-9-16/h2-11,20H,12H2,1H3
InChIKeyKZDRWALTODUKSI-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.80
Rot. Bonds5

About 4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide

4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 38013699) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID38013699
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S/c1-13-19-10-11-21(13)17-5-3-2-4-14(17)12-20-24(22,23)16-8-6-15(18)7-9-16/h2-11,20H,12H2,1H3
InChIKeyKZDRWALTODUKSI-UHFFFAOYSA-N
XLogP2.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (CID 38013699) is 4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is KZDRWALTODUKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-13-19-10-11-21(13)17-5-3-2-4-14(17)12-20-24(22,23)16-8-6-15(18)7-9-16/h2-11,20H,12H2,1H3.
What are the key properties of 4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 38013699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).