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

C12H14FN3O5S2 — CID 9188614

IUPAC1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)c1nnc(CCNS(=O)(=O)Cc2ccc(F)cc2)o1
InChIInChI=1S/C12H14FN3O5S2/c1-22(17,18)12-16-15-11(21-12)6-7-14-23(19,20)8-9-2-4-10(13)5-3-9/h2-5,14H,6-8H2,1H3
InChIKeySIEHQSTVMHHUMG-UHFFFAOYSA-N
MW363.39 g/mol
LogP0.27
Rot. Bonds7

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

1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide (PubChem CID 9188614) has the molecular formula C12H14FN3O5S2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
PubChem CID9188614
Molecular FormulaC12H14FN3O5S2
Molecular Weight363.39 g/mol
Exact Mass363.04
IUPAC Name1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)c1nnc(CCNS(=O)(=O)Cc2ccc(F)cc2)o1
InChIInChI=1S/C12H14FN3O5S2/c1-22(17,18)12-16-15-11(21-12)6-7-14-23(19,20)8-9-2-4-10(13)5-3-9/h2-5,14H,6-8H2,1H3
InChIKeySIEHQSTVMHHUMG-UHFFFAOYSA-N
XLogP0.27
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide
CID 9189022
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 9188631
1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 9188300
1-(4-fluorophenyl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]methanesulfonamide
CID 9186694
4-fluoro-N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 9190243
N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbutanamide
CID 9190207
(E)-3-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-enamide
CID 9188764
1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718501
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 9190102
1-(4-chlorophenyl)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110368545
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476
1-(4-methylphenyl)-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320905

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide (CID 9188614) is 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide is CS(=O)(=O)c1nnc(CCNS(=O)(=O)Cc2ccc(F)cc2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
The InChIKey is SIEHQSTVMHHUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O5S2/c1-22(17,18)12-16-15-11(21-12)6-7-14-23(19,20)8-9-2-4-10(13)5-3-9/h2-5,14H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide has a molecular weight of 363.39 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 9188614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).