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

C17H23N3O4S — CID 166201246

IUPACN-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2nc(CC3CCCO3)no2)c1
InChIInChI=1S/C17H23N3O4S/c1-17(2,3)20-25(21,22)14-8-4-6-12(10-14)16-18-15(19-24-16)11-13-7-5-9-23-13/h4,6,8,10,13,20H,5,7,9,11H2,1-3H3
InChIKeyQINXVRHSIBIRDV-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.53
Rot. Bonds5

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

N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 166201246) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID166201246
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2nc(CC3CCCO3)no2)c1
InChIInChI=1S/C17H23N3O4S/c1-17(2,3)20-25(21,22)14-8-4-6-12(10-14)16-18-15(19-24-16)11-13-7-5-9-23-13/h4,6,8,10,13,20H,5,7,9,11H2,1-3H3
InChIKeyQINXVRHSIBIRDV-UHFFFAOYSA-N
XLogP2.53
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide with MolForge

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Related Compounds

N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 166213767
N-tert-butyl-3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 166213390
2-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43103130
5-(3-methylphenyl)-3-(oxolan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole
CID 53498142
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 103999470
2-methoxy-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63744295
N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 48849651
2-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831134
N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 126787693
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide
CID 126782366
3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide
CID 167783590
N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867248

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 166201246) is N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(-c2nc(CC3CCCO3)no2)c1.
What is the InChIKey of N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is QINXVRHSIBIRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-17(2,3)20-25(21,22)14-8-4-6-12(10-14)16-18-15(19-24-16)11-13-7-5-9-23-13/h4,6,8,10,13,20H,5,7,9,11H2,1-3H3.
What are the key properties of N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 166201246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).