3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline

C10H12F2N2O3S — CID 113375332

IUPAC3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline
SMILESNc1cc(F)c(S(=O)(=O)N2CCCCO2)c(F)c1
InChIInChI=1S/C10H12F2N2O3S/c11-8-5-7(13)6-9(12)10(8)18(15,16)14-3-1-2-4-17-14/h5-6H,1-4,13H2
InChIKeyUVCFEZXCAOYVAV-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.26
Rot. Bonds2

About 3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline

3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline (PubChem CID 113375332) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is 3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline
PubChem CID113375332
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline
SMILESNc1cc(F)c(S(=O)(=O)N2CCCCO2)c(F)c1
InChIInChI=1S/C10H12F2N2O3S/c11-8-5-7(13)6-9(12)10(8)18(15,16)14-3-1-2-4-17-14/h5-6H,1-4,13H2
InChIKeyUVCFEZXCAOYVAV-UHFFFAOYSA-N
XLogP1.26
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.26
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-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline
CID 106492016
4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline
CID 113375351
3-chloro-2-(oxazinan-2-ylsulfonyl)aniline
CID 113375337
3,5-difluoro-4-(2-methylmorpholin-4-yl)sulfonylaniline
CID 54888968
2-(2,4-difluoro-5-methylphenyl)sulfonyl-1,2-oxazolidine
CID 75520180
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3,5-difluoroaniline
CID 82751721
3,5-difluoro-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390370
1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 60984608
2-(2-bromo-4-nitrophenyl)sulfonyloxazepane
CID 136535110
[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81205843
5-amino-2-(1,2-oxazolidin-2-ylsulfonyl)benzoic acid
CID 113402818
1,2-oxazolidine-2-sulfonamide
CID 68860705

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline?
The IUPAC name of 3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline (CID 113375332) is 3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline.
What is the SMILES notation for 3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline?
The canonical SMILES for 3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline is Nc1cc(F)c(S(=O)(=O)N2CCCCO2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline?
The InChIKey is UVCFEZXCAOYVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c11-8-5-7(13)6-9(12)10(8)18(15,16)14-3-1-2-4-17-14/h5-6H,1-4,13H2.
What are the key properties of 3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline?
3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline has a molecular weight of 278.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline is sourced from PubChem (CID 113375332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).