N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C15H23NO3S — CID 110733201

IUPACN,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC2CCCO2)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-11-8-12(2)15(13(3)9-11)20(17,18)16(4)10-14-6-5-7-19-14/h8-9,14H,5-7,10H2,1-4H3
InChIKeyWRUJXPYCPNRMBZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.41
Rot. Bonds4

About N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 110733201) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID110733201
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC2CCCO2)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-11-8-12(2)15(13(3)9-11)20(17,18)16(4)10-14-6-5-7-19-14/h8-9,14H,5-7,10H2,1-4H3
InChIKeyWRUJXPYCPNRMBZ-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604918
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 90635925
3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
3-amino-4-fluoro-N,5-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 115421434
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-oxolan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 7237376
5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63329006
N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide
CID 102752442
5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80579987
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899
4-bromo-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 107650249
5-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 61060142
N-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733250

Frequently Asked Questions

What is the IUPAC name of N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 110733201) is N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(C)CC2CCCO2)c(C)c1.
What is the InChIKey of N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is WRUJXPYCPNRMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11-8-12(2)15(13(3)9-11)20(17,18)16(4)10-14-6-5-7-19-14/h8-9,14H,5-7,10H2,1-4H3.
What are the key properties of N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110733201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).