(2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide

C13H15F2N3O4S — CID 124743219

IUPAC(2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1
InChIInChI=1S/C13H15F2N3O4S/c1-8(21-2)7-23(19,20)18-10-5-3-9(4-6-10)12-16-13(11(14)15)22-17-12/h3-6,8,11,18H,7H2,1-2H3/t8-/m1/s1
InChIKeyYQTRTZKJDJYAFZ-MRVPVSSYSA-N
MW347.34 g/mol
LogP2.45
Rot. Bonds7

About (2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide

(2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide (PubChem CID 124743219) has the molecular formula C13H15F2N3O4S and a molecular weight of 347.34 g/mol. Its IUPAC name is (2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide
PubChem CID124743219
Molecular FormulaC13H15F2N3O4S
Molecular Weight347.34 g/mol
Exact Mass347.08
IUPAC Name(2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1
InChIInChI=1S/C13H15F2N3O4S/c1-8(21-2)7-23(19,20)18-10-5-3-9(4-6-10)12-16-13(11(14)15)22-17-12/h3-6,8,11,18H,7H2,1-2H3/t8-/m1/s1
InChIKeyYQTRTZKJDJYAFZ-MRVPVSSYSA-N
XLogP2.45
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamic acid
CID 146291046
N-[1-[3-[4-(ethylsulfonylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20972370
N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 166184466
N-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823022
[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylimino-methyl-oxo-phenyl-λ6-sulfane
CID 155759722
N-[1-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 50822972
2-methoxy-N-pyrazolo[1,5-a]pyrimidin-6-ylpropane-1-sulfonamide
CID 126833445
2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19582150
N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 46380468
N-[4-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823187
N-[4-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823155
3-(4-ethylphenyl)-5-[(1R)-1-methylsulfonylethyl]-1,2,4-oxadiazole
CID 99827635

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide?
The IUPAC name of (2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide (CID 124743219) is (2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for (2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide?
The canonical SMILES for (2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide is CO[C@H](C)CS(=O)(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1.
What is the InChIKey of (2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide?
The InChIKey is YQTRTZKJDJYAFZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15F2N3O4S/c1-8(21-2)7-23(19,20)18-10-5-3-9(4-6-10)12-16-13(11(14)15)22-17-12/h3-6,8,11,18H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide?
(2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide has a molecular weight of 347.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 124743219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).