N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide

C16H14FN3O3S — CID 110293556

IUPACN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C16H14FN3O3S/c1-11-2-8-14(9-3-11)24(21,22)18-10-15-19-16(20-23-15)12-4-6-13(17)7-5-12/h2-9,18H,10H2,1H3
InChIKeyYIJKEMRRXNASMN-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.66
Rot. Bonds5

About N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide

N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 110293556) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID110293556
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C16H14FN3O3S/c1-11-2-8-14(9-3-11)24(21,22)18-10-15-19-16(20-23-15)12-4-6-13(17)7-5-12/h2-9,18H,10H2,1H3
InChIKeyYIJKEMRRXNASMN-UHFFFAOYSA-N
XLogP2.66
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 17101469
3,4-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322874
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 110293562
4-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323565
4-fluoro-N-[[3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 53138425
4-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322575
4-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 4895698
5-[(dimethylsulfamoylamino)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 110322873
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154484
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154665
5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 110322885

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide (CID 110293556) is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is YIJKEMRRXNASMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-11-2-8-14(9-3-11)24(21,22)18-10-15-19-16(20-23-15)12-4-6-13(17)7-5-12/h2-9,18H,10H2,1H3.
What are the key properties of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide?
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 347.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110293556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).