3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide

C13H19NO5S — CID 47203510

IUPAC3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCOC2)cc1OC
InChIInChI=1S/C13H19NO5S/c1-17-12-4-3-11(7-13(12)18-2)20(15,16)14-8-10-5-6-19-9-10/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyZSFJPKWRISBGPB-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.02
Rot. Bonds6

About 3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide

3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 47203510) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID47203510
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCOC2)cc1OC
InChIInChI=1S/C13H19NO5S/c1-17-12-4-3-11(7-13(12)18-2)20(15,16)14-8-10-5-6-19-9-10/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyZSFJPKWRISBGPB-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736435
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 95126815
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62823134

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 47203510) is 3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCOC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZSFJPKWRISBGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-17-12-4-3-11(7-13(12)18-2)20(15,16)14-8-10-5-6-19-9-10/h3-4,7,10,14H,5-6,8-9H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide?
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 301.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47203510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).