4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline

C10H12BrFN2O3S — CID 106492016

IUPAC4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)N1CCCCO1
InChIInChI=1S/C10H12BrFN2O3S/c11-7-5-10(9(13)6-8(7)12)18(15,16)14-3-1-2-4-17-14/h5-6H,1-4,13H2
InChIKeyZWCGSNQOEXOXEW-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.89
Rot. Bonds2

About 4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline

4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline (PubChem CID 106492016) has the molecular formula C10H12BrFN2O3S and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline
PubChem CID106492016
Molecular FormulaC10H12BrFN2O3S
Molecular Weight339.19 g/mol
Exact Mass337.97
IUPAC Name4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)N1CCCCO1
InChIInChI=1S/C10H12BrFN2O3S/c11-7-5-10(9(13)6-8(7)12)18(15,16)14-3-1-2-4-17-14/h5-6H,1-4,13H2
InChIKeyZWCGSNQOEXOXEW-UHFFFAOYSA-N
XLogP1.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline
CID 113375332
4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline
CID 113375351
2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline
CID 107406883
1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
CID 106491404
1-(2-amino-5-bromo-4-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 106491455
4-bromo-5-fluoro-2-methylsulfonylaniline
CID 116736764
2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine
CID 75520180
2-(2-bromo-4-nitrophenyl)sulfonyloxazepane
CID 136535110
4-bromo-2-(3,4-dimethylpiperazin-1-yl)sulfonyl-5-fluoroaniline
CID 106491777
4-bromo-2-(3-ethylpyrrolidin-1-yl)sulfonyl-5-fluoroaniline
CID 106492036
4-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-5-fluoroaniline
CID 106491736
4-bromo-5-fluoro-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 106492202

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline?
The IUPAC name of 4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline (CID 106492016) is 4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline.
What is the SMILES notation for 4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline?
The canonical SMILES for 4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline is Nc1cc(F)c(Br)cc1S(=O)(=O)N1CCCCO1.
What is the InChIKey of 4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline?
The InChIKey is ZWCGSNQOEXOXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O3S/c11-7-5-10(9(13)6-8(7)12)18(15,16)14-3-1-2-4-17-14/h5-6H,1-4,13H2.
What are the key properties of 4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline?
4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline has a molecular weight of 339.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline is sourced from PubChem (CID 106492016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).