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

C17H16FN3O3S — CID 17101317

IUPAC4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1cccc(-c2noc(C(C)NS(=O)(=O)c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H16FN3O3S/c1-11-4-3-5-13(10-11)16-19-17(24-20-16)12(2)21-25(22,23)15-8-6-14(18)7-9-15/h3-10,12,21H,1-2H3
InChIKeyKSNBQTOZAQMDPY-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.22
Rot. Bonds5

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

4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 17101317) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID17101317
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1cccc(-c2noc(C(C)NS(=O)(=O)c3ccc(F)cc3)n2)c1
InChIInChI=1S/C17H16FN3O3S/c1-11-4-3-5-13(10-11)16-19-17(24-20-16)12(2)21-25(22,23)15-8-6-14(18)7-9-15/h3-10,12,21H,1-2H3
InChIKeyKSNBQTOZAQMDPY-UHFFFAOYSA-N
XLogP3.22
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92702056
N-[4-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide
CID 6492266
4-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 52508983
3-cyano-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 52508997
4-methyl-N-[1-[3-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 171682385
N-[1-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 50822972
2-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101311
4-methyl-N-[(1R)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 97416382
4-methyl-N-[(1S)-1-[3-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 97416381
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92735234
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101563
2,2-dimethyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 7449663

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (CID 17101317) is 4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is Cc1cccc(-c2noc(C(C)NS(=O)(=O)c3ccc(F)cc3)n2)c1.
What is the InChIKey of 4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is KSNBQTOZAQMDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-11-4-3-5-13(10-11)16-19-17(24-20-16)12(2)21-25(22,23)15-8-6-14(18)7-9-15/h3-10,12,21H,1-2H3.
What are the key properties of 4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 361.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 17101317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).