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

C16H14FN3O3S — CID 60534651

IUPAC3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1nnc(-c2ccccc2NS(=O)(=O)c2ccc(C)c(F)c2)o1
InChIInChI=1S/C16H14FN3O3S/c1-10-7-8-12(9-14(10)17)24(21,22)20-15-6-4-3-5-13(15)16-19-18-11(2)23-16/h3-9,20H,1-2H3
InChIKeyDQUOKEFZYVVAOQ-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.29
Rot. Bonds4

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

3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 60534651) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID60534651
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1nnc(-c2ccccc2NS(=O)(=O)c2ccc(C)c(F)c2)o1
InChIInChI=1S/C16H14FN3O3S/c1-10-7-8-12(9-14(10)17)24(21,22)20-15-6-4-3-5-13(15)16-19-18-11(2)23-16/h3-9,20H,1-2H3
InChIKeyDQUOKEFZYVVAOQ-UHFFFAOYSA-N
XLogP3.29
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]benzamide
CID 60532014
3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896243
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
1-bromo-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 83084278
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239
3-fluoro-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzenesulfonamide
CID 53140875
3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 43700063
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321008
4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321246
4-(benzylamino)-N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 155342969
3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 90626141

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide (CID 60534651) is 3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is Cc1nnc(-c2ccccc2NS(=O)(=O)c2ccc(C)c(F)c2)o1.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is DQUOKEFZYVVAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-10-7-8-12(9-14(10)17)24(21,22)20-15-6-4-3-5-13(15)16-19-18-11(2)23-16/h3-9,20H,1-2H3.
What are the key properties of 3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide?
3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 347.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 60534651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).