2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide

C15H23NO4S — CID 116522491

IUPAC2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(OCC2CCC(C)(C)O2)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H23NO4S/c1-10-7-11(2)14(13(8-10)21(16,17)18)19-9-12-5-6-15(3,4)20-12/h7-8,12H,5-6,9H2,1-4H3,(H2,16,17,18)
InChIKeyDMWUOYDTPLQNGM-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.29
Rot. Bonds4

About 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide

2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide (PubChem CID 116522491) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide
PubChem CID116522491
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(OCC2CCC(C)(C)O2)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H23NO4S/c1-10-7-11(2)14(13(8-10)21(16,17)18)19-9-12-5-6-15(3,4)20-12/h7-8,12H,5-6,9H2,1-4H3,(H2,16,17,18)
InChIKeyDMWUOYDTPLQNGM-UHFFFAOYSA-N
XLogP2.29
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide (CID 116522491) is 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide is Cc1cc(C)c(OCC2CCC(C)(C)O2)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide?
The InChIKey is DMWUOYDTPLQNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-10-7-11(2)14(13(8-10)21(16,17)18)19-9-12-5-6-15(3,4)20-12/h7-8,12H,5-6,9H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide?
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 116522491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).