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

C10H12ClFN2O3S — CID 113375351

IUPAC4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline
SMILESNc1cc(S(=O)(=O)N2CCCCO2)c(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O3S/c11-7-5-8(12)9(13)6-10(7)18(15,16)14-3-1-2-4-17-14/h5-6H,1-4,13H2
InChIKeyUFWCZOOBPUAQDS-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.78
Rot. Bonds2

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

4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline (PubChem CID 113375351) has the molecular formula C10H12ClFN2O3S and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline
PubChem CID113375351
Molecular FormulaC10H12ClFN2O3S
Molecular Weight294.74 g/mol
Exact Mass294.02
IUPAC Name4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline
SMILESNc1cc(S(=O)(=O)N2CCCCO2)c(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O3S/c11-7-5-8(12)9(13)6-10(7)18(15,16)14-3-1-2-4-17-14/h5-6H,1-4,13H2
InChIKeyUFWCZOOBPUAQDS-UHFFFAOYSA-N
XLogP1.78
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.78
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

4-chloro-2-fluoro-5-pyrrolidin-1-ylsulfonylaniline
CID 61112827
4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline
CID 106492016
3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline
CID 113375332
4-chloro-2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 61113392
4-chloro-2-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62988467
3-chloro-2-(oxazinan-2-ylsulfonyl)aniline
CID 113375337
4-chloro-2-fluoro-5-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61419326
[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 61112099
4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773826
2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine
CID 75520180
4-chloro-5-(4,4-dimethylazepan-1-yl)sulfonyl-2-fluoroaniline
CID 65283511
4-chloro-2-fluoro-5-(4-prop-2-ynylpiperazin-1-yl)sulfonylaniline
CID 61140332

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline?
The IUPAC name of 4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline (CID 113375351) is 4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline.
What is the SMILES notation for 4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline?
The canonical SMILES for 4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline is Nc1cc(S(=O)(=O)N2CCCCO2)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline?
The InChIKey is UFWCZOOBPUAQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O3S/c11-7-5-8(12)9(13)6-10(7)18(15,16)14-3-1-2-4-17-14/h5-6H,1-4,13H2.
What are the key properties of 4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline?
4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline has a molecular weight of 294.74 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline is sourced from PubChem (CID 113375351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).