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

C19H20FN3O3S — CID 110319079

IUPAC4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C19H20FN3O3S/c1-19(2,3)13-8-10-14(11-9-13)27(24,25)21-12-17-22-23-18(26-17)15-6-4-5-7-16(15)20/h4-11,21H,12H2,1-3H3
InChIKeyIHZWHAZPRYCMFT-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.65
Rot. Bonds5

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

4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 110319079) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
PubChem CID110319079
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C19H20FN3O3S/c1-19(2,3)13-8-10-14(11-9-13)27(24,25)21-12-17-22-23-18(26-17)15-6-4-5-7-16(15)20/h4-11,21H,12H2,1-3H3
InChIKeyIHZWHAZPRYCMFT-UHFFFAOYSA-N
XLogP3.65
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 110319082
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321008
4-tert-butyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320486
N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662153
3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319345
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319836
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
4-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110320165
4-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319458
4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321246
2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319996
4-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322355

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (CID 110319079) is 4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCc2nnc(-c3ccccc3F)o2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is IHZWHAZPRYCMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-19(2,3)13-8-10-14(11-9-13)27(24,25)21-12-17-22-23-18(26-17)15-6-4-5-7-16(15)20/h4-11,21H,12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110319079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).