4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide

C12H14FN3O5S2 — CID 9186116

IUPAC4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C12H14FN3O5S2/c1-7-6-9(13)4-5-10(7)23(19,20)16-8(2)11-14-15-12(21-11)22(3,17)18/h4-6,8,16H,1-3H3/t8-/m0/s1
InChIKeyWYLZLSVHHOCRQG-QMMMGPOBSA-N
MW363.39 g/mol
LogP0.96
Rot. Bonds5

About 4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 9186116) has the molecular formula C12H14FN3O5S2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID9186116
Molecular FormulaC12H14FN3O5S2
Molecular Weight363.39 g/mol
Exact Mass363.04
IUPAC Name4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C12H14FN3O5S2/c1-7-6-9(13)4-5-10(7)23(19,20)16-8(2)11-14-15-12(21-11)22(3,17)18/h4-6,8,16H,1-3H3/t8-/m0/s1
InChIKeyWYLZLSVHHOCRQG-QMMMGPOBSA-N
XLogP0.96
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 9186116) is 4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is WYLZLSVHHOCRQG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14FN3O5S2/c1-7-6-9(13)4-5-10(7)23(19,20)16-8(2)11-14-15-12(21-11)22(3,17)18/h4-6,8,16H,1-3H3/t8-/m0/s1.
What are the key properties of 4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 363.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 9186116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).