3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide

C14H18FN3O4S — CID 154803213

IUPAC3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(CF)CS(=O)(=O)NCc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C14H18FN3O4S/c1-14(2,8-15)9-23(20,21)16-7-12-17-13(18-22-12)10-4-3-5-11(19)6-10/h3-6,16,19H,7-9H2,1-2H3
InChIKeyTZBQNGIECFEPLG-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.86
Rot. Bonds7

About 3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide

3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide (PubChem CID 154803213) has the molecular formula C14H18FN3O4S and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide
PubChem CID154803213
Molecular FormulaC14H18FN3O4S
Molecular Weight343.38 g/mol
Exact Mass343.10
IUPAC Name3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(CF)CS(=O)(=O)NCc1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C14H18FN3O4S/c1-14(2,8-15)9-23(20,21)16-7-12-17-13(18-22-12)10-4-3-5-11(19)6-10/h3-6,16,19H,7-9H2,1-2H3
InChIKeyTZBQNGIECFEPLG-UHFFFAOYSA-N
XLogP1.86
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide with MolForge

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Related Compounds

3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103832480
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255
methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201
3-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 114016052
3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921209
3-[5-(2-amino-4,4-dimethylpentyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921078
3-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
CID 107922321
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 107922223
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 4976105
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 65263615
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322827
3-[5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921186

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide (CID 154803213) is 3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide is CC(C)(CF)CS(=O)(=O)NCc1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is TZBQNGIECFEPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O4S/c1-14(2,8-15)9-23(20,21)16-7-12-17-13(18-22-12)10-4-3-5-11(19)6-10/h3-6,16,19H,7-9H2,1-2H3.
What are the key properties of 3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide?
3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 343.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 154803213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).