N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C13H17NO5S — CID 47203478

IUPACN-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H17NO5S/c15-20(16,14-8-10-3-4-17-9-10)11-1-2-12-13(7-11)19-6-5-18-12/h1-2,7,10,14H,3-6,8-9H2
InChIKeyFYRJHMJCPOTCSI-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.77
Rot. Bonds4

About N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 47203478) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID47203478
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC NameN-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H17NO5S/c15-20(16,14-8-10-3-4-17-9-10)11-1-2-12-13(7-11)19-6-5-18-12/h1-2,7,10,14H,3-6,8-9H2
InChIKeyFYRJHMJCPOTCSI-UHFFFAOYSA-N
XLogP0.77
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 164695255
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16887535
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 157267922
N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62823134
N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 95126815
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 47203478) is N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCC1CCOC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is FYRJHMJCPOTCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c15-20(16,14-8-10-3-4-17-9-10)11-1-2-12-13(7-11)19-6-5-18-12/h1-2,7,10,14H,3-6,8-9H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 299.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 47203478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).