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

C12H14FN3O3S — CID 110320313

IUPAC4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1nnc(CCNS(=O)(=O)c2ccc(F)c(C)c2)o1
InChIInChI=1S/C12H14FN3O3S/c1-8-7-10(3-4-11(8)13)20(17,18)14-6-5-12-16-15-9(2)19-12/h3-4,7,14H,5-6H2,1-2H3
InChIKeyCXCBLSZZDRZHIG-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.35
Rot. Bonds5

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

4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110320313) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110320313
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1nnc(CCNS(=O)(=O)c2ccc(F)c(C)c2)o1
InChIInChI=1S/C12H14FN3O3S/c1-8-7-10(3-4-11(8)13)20(17,18)14-6-5-12-16-15-9(2)19-12/h3-4,7,14H,5-6H2,1-2H3
InChIKeyCXCBLSZZDRZHIG-UHFFFAOYSA-N
XLogP1.35
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321246
4-fluoro-3-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660652
4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
CID 9188814
3,4-dimethoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320319
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321008
4-fluoro-3-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 9188282
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110320363
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110415497
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320875
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 110320313) is 4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is Cc1nnc(CCNS(=O)(=O)c2ccc(F)c(C)c2)o1.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is CXCBLSZZDRZHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-8-7-10(3-4-11(8)13)20(17,18)14-6-5-12-16-15-9(2)19-12/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110320313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).