2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide

C11H12BrFN4O2S — CID 106492105

IUPAC2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)c(F)cc1N)c1ncc[nH]1
InChIInChI=1S/C11H12BrFN4O2S/c1-6(11-15-2-3-16-11)17-20(18,19)10-4-7(12)8(13)5-9(10)14/h2-6,17H,14H2,1H3,(H,15,16)
InChIKeyDZYKUQWOSVSNNE-UHFFFAOYSA-N
MW363.21 g/mol
LogP1.93
Rot. Bonds4

About 2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 106492105) has the molecular formula C11H12BrFN4O2S and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID106492105
Molecular FormulaC11H12BrFN4O2S
Molecular Weight363.21 g/mol
Exact Mass361.98
IUPAC Name2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)c(F)cc1N)c1ncc[nH]1
InChIInChI=1S/C11H12BrFN4O2S/c1-6(11-15-2-3-16-11)17-20(18,19)10-4-7(12)8(13)5-9(10)14/h2-6,17H,14H2,1H3,(H,15,16)
InChIKeyDZYKUQWOSVSNNE-UHFFFAOYSA-N
XLogP1.93
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 116530663
5-amino-4-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 114626241
2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 106491773
2-amino-5-bromo-4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106491683
3-(aminomethyl)-5-bromo-2-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085043
2-amino-5-bromo-4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 106491710
3-amino-5-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 114626240
2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106491907
2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 106491416
3-(aminomethyl)-2,4-difluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085041
2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 106491799
2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 106491866

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide (CID 106492105) is 2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(Br)c(F)cc1N)c1ncc[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is DZYKUQWOSVSNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4O2S/c1-6(11-15-2-3-16-11)17-20(18,19)10-4-7(12)8(13)5-9(10)14/h2-6,17H,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 363.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106492105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).