2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid

C13H15F2NO5S — CID 166239334

IUPAC2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cc(F)cc(F)c2)CCOCC1
InChIInChI=1S/C13H15F2NO5S/c14-9-5-10(15)7-11(6-9)22(19,20)16-13(8-12(17)18)1-3-21-4-2-13/h5-7,16H,1-4,8H2,(H,17,18)
InChIKeyDXBSRKXFLFMONQ-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.27
Rot. Bonds5

About 2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid

2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid (PubChem CID 166239334) has the molecular formula C13H15F2NO5S and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid
PubChem CID166239334
Molecular FormulaC13H15F2NO5S
Molecular Weight335.33 g/mol
Exact Mass335.06
IUPAC Name2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cc(F)cc(F)c2)CCOCC1
InChIInChI=1S/C13H15F2NO5S/c14-9-5-10(15)7-11(6-9)22(19,20)16-13(8-12(17)18)1-3-21-4-2-13/h5-7,16H,1-4,8H2,(H,17,18)
InChIKeyDXBSRKXFLFMONQ-UHFFFAOYSA-N
XLogP1.27
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[3-(difluoromethyl)phenyl]sulfonylamino]oxolan-3-yl]acetic acid
CID 138000547
2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid
CID 146092673
2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215386
3-amino-4-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzenesulfonamide
CID 106296764
N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide
CID 106301327
2-[1-[[3-(2,2-difluorocyclopropyl)phenyl]sulfonylamino]cyclopropyl]acetic acid
CID 166283599
3-fluoro-5-[(4-fluorooxan-4-yl)methylsulfamoyl]benzoic acid
CID 166279400
2-[1-[(3-cyano-4-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844844
3,5-dichloro-N-[4-(chloromethyl)oxan-4-yl]benzenesulfonamide
CID 106301418
4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106298992
[4-[(3,5-difluorophenyl)methylamino]oxan-4-yl]methanol
CID 113338447
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]-4,5-dimethylbenzenesulfonamide
CID 106296708

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid (CID 166239334) is 2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid is O=C(O)CC1(NS(=O)(=O)c2cc(F)cc(F)c2)CCOCC1.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid?
The InChIKey is DXBSRKXFLFMONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO5S/c14-9-5-10(15)7-11(6-9)22(19,20)16-13(8-12(17)18)1-3-21-4-2-13/h5-7,16H,1-4,8H2,(H,17,18).
What are the key properties of 2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid?
2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid has a molecular weight of 335.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid is sourced from PubChem (CID 166239334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).