5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide

C15H23NO4S — CID 114621747

IUPAC5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide
SMILESCc1ccc(OC2CC(C)(C)OC2(C)C)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H23NO4S/c1-10-6-7-11(12(8-10)21(16,17)18)19-13-9-14(2,3)20-15(13,4)5/h6-8,13H,9H2,1-5H3,(H2,16,17,18)
InChIKeyMPIMGZBDMJQVSX-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.37
Rot. Bonds3

About 5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide

5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide (PubChem CID 114621747) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide.

Molecular Properties

Compound Name5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide
PubChem CID114621747
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide
SMILESCc1ccc(OC2CC(C)(C)OC2(C)C)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H23NO4S/c1-10-6-7-11(12(8-10)21(16,17)18)19-13-9-14(2,3)20-15(13,4)5/h6-8,13H,9H2,1-5H3,(H2,16,17,18)
InChIKeyMPIMGZBDMJQVSX-UHFFFAOYSA-N
XLogP2.37
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine
CID 114621141
5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide
CID 63557171
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 114621113
1-[5-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanone
CID 114620999
2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide
CID 79908582
[6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxy-2-pyridinyl]methanamine
CID 114621146
5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 114621017
5-methyl-2-(2-oxoazepan-3-yl)oxybenzenesulfonamide
CID 82921367
3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 107691461
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 114621610
(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940321
1-[4-methoxy-3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621100

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide?
The IUPAC name of 5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide (CID 114621747) is 5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide.
What is the SMILES notation for 5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide?
The canonical SMILES for 5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide is Cc1ccc(OC2CC(C)(C)OC2(C)C)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide?
The InChIKey is MPIMGZBDMJQVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-10-6-7-11(12(8-10)21(16,17)18)19-13-9-14(2,3)20-15(13,4)5/h6-8,13H,9H2,1-5H3,(H2,16,17,18).
What are the key properties of 5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide?
5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide is sourced from PubChem (CID 114621747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).