5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide

C9H9Br2FN2O2S — CID 116530612

IUPAC5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1cc(N)c(Br)cc1F
InChIInChI=1S/C9H9Br2FN2O2S/c1-5(10)4-14-17(15,16)9-3-8(13)6(11)2-7(9)12/h2-3,14H,1,4,13H2
InChIKeyVHFQHMUHCBXAIV-UHFFFAOYSA-N
MW388.06 g/mol
LogP2.36
Rot. Bonds4

About 5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide

5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide (PubChem CID 116530612) has the molecular formula C9H9Br2FN2O2S and a molecular weight of 388.06 g/mol. Its IUPAC name is 5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide
PubChem CID116530612
Molecular FormulaC9H9Br2FN2O2S
Molecular Weight388.06 g/mol
Exact Mass385.87
IUPAC Name5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1cc(N)c(Br)cc1F
InChIInChI=1S/C9H9Br2FN2O2S/c1-5(10)4-14-17(15,16)9-3-8(13)6(11)2-7(9)12/h2-3,14H,1,4,13H2
InChIKeyVHFQHMUHCBXAIV-UHFFFAOYSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116529842
5-amino-4-bromo-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464970
3-amino-N-(2-bromoprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343821
N-[2-[(5-amino-4-bromo-2-fluorophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 116530631
3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide
CID 114380174
5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 116530422
5-amino-4-bromo-2-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413590
5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006764
3-(2-bromoprop-2-enylsulfamoyl)-4,5-difluorobenzoic acid
CID 105115653
5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840238
5-amino-4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 116529549
5-amino-4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 116530327

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide (CID 116530612) is 5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide is C=C(Br)CNS(=O)(=O)c1cc(N)c(Br)cc1F.
What is the InChIKey of 5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide?
The InChIKey is VHFQHMUHCBXAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2FN2O2S/c1-5(10)4-14-17(15,16)9-3-8(13)6(11)2-7(9)12/h2-3,14H,1,4,13H2.
What are the key properties of 5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide?
5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide has a molecular weight of 388.06 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116530612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).