2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide

C11H17BrFN3O2S — CID 106491580

IUPAC2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Br)c(F)cc1N)N(C)C
InChIInChI=1S/C11H17BrFN3O2S/c1-7(16(2)3)6-15-19(17,18)11-4-8(12)9(13)5-10(11)14/h4-5,7,15H,6,14H2,1-3H3
InChIKeyGWYMEQLOMLRCOB-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.40
Rot. Bonds5

About 2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide

2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide (PubChem CID 106491580) has the molecular formula C11H17BrFN3O2S and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
PubChem CID106491580
Molecular FormulaC11H17BrFN3O2S
Molecular Weight354.25 g/mol
Exact Mass353.02
IUPAC Name2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Br)c(F)cc1N)N(C)C
InChIInChI=1S/C11H17BrFN3O2S/c1-7(16(2)3)6-15-19(17,18)11-4-8(12)9(13)5-10(11)14/h4-5,7,15H,6,14H2,1-3H3
InChIKeyGWYMEQLOMLRCOB-UHFFFAOYSA-N
XLogP1.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.40
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-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 106491894
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 61127828
2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61127626
2-amino-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 106491799
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 106491434
2,5-dibromo-N-[2-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 80708425
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 106492195
2-amino-5-bromo-4-fluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106492061
2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 106491371
2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106491907
2-amino-5-bromo-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106491310
ethyl 3-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491697

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide (CID 106491580) is 2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide is CC(CNS(=O)(=O)c1cc(Br)c(F)cc1N)N(C)C.
What is the InChIKey of 2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The InChIKey is GWYMEQLOMLRCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrFN3O2S/c1-7(16(2)3)6-15-19(17,18)11-4-8(12)9(13)5-10(11)14/h4-5,7,15H,6,14H2,1-3H3.
What are the key properties of 2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide has a molecular weight of 354.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106491580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).