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

C17H16FN3O2S — CID 17441104

IUPAC3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-13(20-24(22,23)17-4-2-3-15(18)11-17)14-5-7-16(8-6-14)21-10-9-19-12-21/h2-13,20H,1H3
InChIKeyXXYUPXLAVSGBAT-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.05
Rot. Bonds5

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

3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 17441104) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
PubChem CID17441104
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(F)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-13(20-24(22,23)17-4-2-3-15(18)11-17)14-5-7-16(8-6-14)21-10-9-19-12-21/h2-13,20H,1H3
InChIKeyXXYUPXLAVSGBAT-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 46799865
3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 7307545
4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 51429093
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
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 40663817
1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947
4-bromo-2-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 25352209
3-(3-fluorophenyl)-N-(4-imidazol-1-ylphenyl)butanamide
CID 86960699
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide
CID 166308955
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 7306030

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide (CID 17441104) is 3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cccc(F)c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is XXYUPXLAVSGBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-13(20-24(22,23)17-4-2-3-15(18)11-17)14-5-7-16(8-6-14)21-10-9-19-12-21/h2-13,20H,1H3.
What are the key properties of 3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 17441104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).