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

C12H12BrFN2O3S — CID 106491416

IUPAC2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)c(F)cc1N)c1ccco1
InChIInChI=1S/C12H12BrFN2O3S/c1-7(11-3-2-4-19-11)16-20(17,18)12-5-8(13)9(14)6-10(12)15/h2-7,16H,15H2,1H3
InChIKeyJGHVCLIACTXZCU-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.80
Rot. Bonds4

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

2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 106491416) has the molecular formula C12H12BrFN2O3S and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID106491416
Molecular FormulaC12H12BrFN2O3S
Molecular Weight363.21 g/mol
Exact Mass361.97
IUPAC Name2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)c(F)cc1N)c1ccco1
InChIInChI=1S/C12H12BrFN2O3S/c1-7(11-3-2-4-19-11)16-20(17,18)12-5-8(13)9(14)6-10(12)15/h2-7,16H,15H2,1H3
InChIKeyJGHVCLIACTXZCU-UHFFFAOYSA-N
XLogP2.80
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 43535590
2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817630
5-amino-2-fluoro-N-[1-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 80645561
2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817589
2-amino-4-cyano-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 64898473
2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 106491799
5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 43535591
methyl 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491644
2-amino-5-bromo-4-fluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106492061
3-amino-4-fluoro-N-[1-(furan-2-yl)ethyl]-5-methylbenzenesulfonamide
CID 115421239
4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
CID 43399440
4-fluoro-3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390367

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide (CID 106491416) is 2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(Br)c(F)cc1N)c1ccco1.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is JGHVCLIACTXZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O3S/c1-7(11-3-2-4-19-11)16-20(17,18)12-5-8(13)9(14)6-10(12)15/h2-7,16H,15H2,1H3.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 363.21 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 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-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106491416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).