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

C19H20FN3O3S — CID 75415023

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide
SMILESCC(C)(C)c1nc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C19H20FN3O3S/c1-19(2,3)18-21-17(22-26-18)13-23(15-7-5-4-6-8-15)27(24,25)16-11-9-14(20)10-12-16/h4-12H,13H2,1-3H3
InChIKeyGQWFZOJEYDISOZ-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.90
Rot. Bonds5

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

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide (PubChem CID 75415023) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide
PubChem CID75415023
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide
SMILESCC(C)(C)c1nc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C19H20FN3O3S/c1-19(2,3)18-21-17(22-26-18)13-23(15-7-5-4-6-8-15)27(24,25)16-11-9-14(20)10-12-16/h4-12H,13H2,1-3H3
InChIKeyGQWFZOJEYDISOZ-UHFFFAOYSA-N
XLogP3.90
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-N-phenylbenzenesulfonamide
CID 36546560
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46021847
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 4258706
1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 111619386

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide (CID 75415023) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide is CC(C)(C)c1nc(CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)no1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide?
The InChIKey is GQWFZOJEYDISOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-19(2,3)18-21-17(22-26-18)13-23(15-7-5-4-6-8-15)27(24,25)16-11-9-14(20)10-12-16/h4-12H,13H2,1-3H3.
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 75415023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).