2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

C13H19NO5S — CID 2868443

IUPAC2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H19NO5S/c1-17-10-5-6-12(18-2)13(8-10)20(15,16)14-9-11-4-3-7-19-11/h5-6,8,11,14H,3-4,7,9H2,1-2H3
InChIKeyAYEZBHYQZUUOAL-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.16
Rot. Bonds6

About 2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide

2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 2868443) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID2868443
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H19NO5S/c1-17-10-5-6-12(18-2)13(8-10)20(15,16)14-9-11-4-3-7-19-11/h5-6,8,11,14H,3-4,7,9H2,1-2H3
InChIKeyAYEZBHYQZUUOAL-UHFFFAOYSA-N
XLogP1.16
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 2868443) is 2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is AYEZBHYQZUUOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-17-10-5-6-12(18-2)13(8-10)20(15,16)14-9-11-4-3-7-19-11/h5-6,8,11,14H,3-4,7,9H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide?
2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 301.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2868443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).