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

C15H21N3O4S — CID 167947859

IUPAC3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Cn2nc(C(C)(C)C)oc2=O)c1
InChIInChI=1S/C15H21N3O4S/c1-15(2,3)13-16-18(14(19)22-13)10-11-7-6-8-12(9-11)23(20,21)17(4)5/h6-9H,10H2,1-5H3
InChIKeyQUTCRTHGPWSSJL-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.43
Rot. Bonds4

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

3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 167947859) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID167947859
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Cn2nc(C(C)(C)C)oc2=O)c1
InChIInChI=1S/C15H21N3O4S/c1-15(2,3)13-16-18(14(19)22-13)10-11-7-6-8-12(9-11)23(20,21)17(4)5/h6-9H,10H2,1-5H3
InChIKeyQUTCRTHGPWSSJL-UHFFFAOYSA-N
XLogP1.43
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59836579
3-[(4-amino-5-methyltriazol-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 79543098
3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 39969093
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
3-[(4-cyclopropyl-2-oxopyrimidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 136572192
N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide
CID 30028160
3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 136572202
3-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 47004137
3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114280117
N,N-dimethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzenesulfonamide
CID 134055383
3-[(3,5-dimethylpiperazin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 119923881

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide (CID 167947859) is 3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Cn2nc(C(C)(C)C)oc2=O)c1.
What is the InChIKey of 3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is QUTCRTHGPWSSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-15(2,3)13-16-18(14(19)22-13)10-11-7-6-8-12(9-11)23(20,21)17(4)5/h6-9H,10H2,1-5H3.
What are the key properties of 3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 167947859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).