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

C16H14FN3O2S — CID 60580487

IUPAC4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c17-14-5-7-15(8-6-14)23(21,22)19-11-13-3-1-2-4-16(13)20-10-9-18-12-20/h1-10,12,19H,11H2
InChIKeyKSDUJHYTLWOETF-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.49
Rot. Bonds5

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

4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide (PubChem CID 60580487) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide
PubChem CID60580487
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c17-14-5-7-15(8-6-14)23(21,22)19-11-13-3-1-2-4-16(13)20-10-9-18-12-20/h1-10,12,19H,11H2
InChIKeyKSDUJHYTLWOETF-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[(2-imidazol-1-ylphenyl)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

N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide
CID 46772764
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30380953
N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 46970043
4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 38013699
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92685437
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 92676674
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide
CID 47958616
4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867678
(2R)-2-(4-fluorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 92686153
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
1-[2-(4-fluorophenyl)ethyl]-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine
CID 111230379

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide (CID 60580487) is 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is KSDUJHYTLWOETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-14-5-7-15(8-6-14)23(21,22)19-11-13-3-1-2-4-16(13)20-10-9-18-12-20/h1-10,12,19H,11H2.
What are the key properties of 4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide?
4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 2.49, 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-imidazol-1-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 60580487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).