3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide

C17H15ClFN3O2S — CID 46799865

IUPAC3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H15ClFN3O2S/c1-12(13-2-4-14(5-3-13)22-9-8-20-11-22)21-25(23,24)15-6-7-17(19)16(18)10-15/h2-12,21H,1H3
InChIKeyWWLXCFCTAIFFRP-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.70
Rot. Bonds5

About 3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide

3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 46799865) has the molecular formula C17H15ClFN3O2S and a molecular weight of 379.84 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
PubChem CID46799865
Molecular FormulaC17H15ClFN3O2S
Molecular Weight379.84 g/mol
Exact Mass379.06
IUPAC Name3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H15ClFN3O2S/c1-12(13-2-4-14(5-3-13)22-9-8-20-11-22)21-25(23,24)15-6-7-17(19)16(18)10-15/h2-12,21H,1H3
InChIKeyWWLXCFCTAIFFRP-UHFFFAOYSA-N
XLogP3.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]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-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 51429093
3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 7307545
3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 17441104
4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 40663815
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 40663889
4-bromo-2-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 25352209
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 40663817
1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 7306030
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide
CID 166308955
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
3-chloro-4-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 60587219

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide (CID 46799865) is 3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is WWLXCFCTAIFFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2S/c1-12(13-2-4-14(5-3-13)22-9-8-20-11-22)21-25(23,24)15-6-7-17(19)16(18)10-15/h2-12,21H,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 379.84 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46799865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).