1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide

C15H20FN3O5S2 — CID 9187183

IUPAC1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)Cc1ccccc1F)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C15H20FN3O5S2/c1-10(2)8-13(14-17-18-15(24-14)25(3,20)21)19-26(22,23)9-11-6-4-5-7-12(11)16/h4-7,10,13,19H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyIVZKQPCWIXEFJX-ZDUSSCGKSA-N
MW405.47 g/mol
LogP1.82
Rot. Bonds8

About 1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide

1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide (PubChem CID 9187183) has the molecular formula C15H20FN3O5S2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide
PubChem CID9187183
Molecular FormulaC15H20FN3O5S2
Molecular Weight405.47 g/mol
Exact Mass405.08
IUPAC Name1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)Cc1ccccc1F)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C15H20FN3O5S2/c1-10(2)8-13(14-17-18-15(24-14)25(3,20)21)19-26(22,23)9-11-6-4-5-7-12(11)16/h4-7,10,13,19H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyIVZKQPCWIXEFJX-ZDUSSCGKSA-N
XLogP1.82
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9186133
N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide
CID 9190819
3-chloro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
CID 9187200
4-fluoro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 9187332
1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 100567034
1-(4-fluorophenyl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]methanesulfonamide
CID 9186694
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 9187293
2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide
CID 9186882
1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9186143
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide
CID 97087544

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide (CID 9187183) is 1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide is CC(C)C[C@H](NS(=O)(=O)Cc1ccccc1F)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide?
The InChIKey is IVZKQPCWIXEFJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20FN3O5S2/c1-10(2)8-13(14-17-18-15(24-14)25(3,20)21)19-26(22,23)9-11-6-4-5-7-12(11)16/h4-7,10,13,19H,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide has a molecular weight of 405.47 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide is sourced from PubChem (CID 9187183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).