2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide

C8H10BrFN2O2S — CID 106491295

IUPAC2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C8H10BrFN2O2S/c1-12(2)15(13,14)8-3-5(9)6(10)4-7(8)11/h3-4H,11H2,1-2H3
InChIKeyQWSAVSMKFKTZPA-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.42
Rot. Bonds2

About 2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide

2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide (PubChem CID 106491295) has the molecular formula C8H10BrFN2O2S and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
PubChem CID106491295
Molecular FormulaC8H10BrFN2O2S
Molecular Weight297.15 g/mol
Exact Mass295.96
IUPAC Name2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C8H10BrFN2O2S/c1-12(2)15(13,14)8-3-5(9)6(10)4-7(8)11/h3-4H,11H2,1-2H3
InChIKeyQWSAVSMKFKTZPA-UHFFFAOYSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 106491371
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
4-bromo-5-fluoro-2-methylsulfonylaniline
CID 116736764
2-amino-5-bromo-N,N-dibutyl-4-fluorobenzenesulfonamide
CID 106491360
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106491946
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106491530
2-amino-5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 106491934
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 106491536
2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 106491819
2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 106491612
2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 106491500
2-amino-5-bromo-4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106491551

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide (CID 106491295) is 2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide?
The InChIKey is QWSAVSMKFKTZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O2S/c1-12(2)15(13,14)8-3-5(9)6(10)4-7(8)11/h3-4H,11H2,1-2H3.
What are the key properties of 2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide?
2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide has a molecular weight of 297.15 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 106491295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).