N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C13H14F2N2O4S — CID 95636001

IUPACN-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccon1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H14F2N2O4S/c1-9(10-3-2-4-12(7-10)21-13(14)15)17-22(18,19)8-11-5-6-20-16-11/h2-7,9,13,17H,8H2,1H3/t9-/m0/s1
InChIKeyUGGTZNZWNCCIQH-VIFPVBQESA-N
MW332.33 g/mol
LogP2.46
Rot. Bonds7

About N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 95636001) has the molecular formula C13H14F2N2O4S and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID95636001
Molecular FormulaC13H14F2N2O4S
Molecular Weight332.33 g/mol
Exact Mass332.06
IUPAC NameN-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccon1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H14F2N2O4S/c1-9(10-3-2-4-12(7-10)21-13(14)15)17-22(18,19)8-11-5-6-20-16-11/h2-7,9,13,17H,8H2,1H3/t9-/m0/s1
InChIKeyUGGTZNZWNCCIQH-VIFPVBQESA-N
XLogP2.46
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 95636001) is N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is C[C@H](NS(=O)(=O)Cc1ccon1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is UGGTZNZWNCCIQH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14F2N2O4S/c1-9(10-3-2-4-12(7-10)21-13(14)15)17-22(18,19)8-11-5-6-20-16-11/h2-7,9,13,17H,8H2,1H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 332.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 95636001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).