N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C8H12F2N2O4S — CID 103731731

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCC(O)C(F)F)no1
InChIInChI=1S/C8H12F2N2O4S/c1-5-2-6(12-16-5)4-17(14,15)11-3-7(13)8(9)10/h2,7-8,11,13H,3-4H2,1H3
InChIKeyRGOVEWJYNMQFJN-UHFFFAOYSA-N
MW270.26 g/mol
LogP0.03
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 103731731) has the molecular formula C8H12F2N2O4S and a molecular weight of 270.26 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID103731731
Molecular FormulaC8H12F2N2O4S
Molecular Weight270.26 g/mol
Exact Mass270.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCC(O)C(F)F)no1
InChIInChI=1S/C8H12F2N2O4S/c1-5-2-6(12-16-5)4-17(14,15)11-3-7(13)8(9)10/h2,7-8,11,13H,3-4H2,1H3
InChIKeyRGOVEWJYNMQFJN-UHFFFAOYSA-N
XLogP0.03
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 103731731) is N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)NCC(O)C(F)F)no1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is RGOVEWJYNMQFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O4S/c1-5-2-6(12-16-5)4-17(14,15)11-3-7(13)8(9)10/h2,7-8,11,13H,3-4H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 270.26 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 103731731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).