N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C14H19NO5S — CID 42955258

IUPACN-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)OCCO2)C1CCCO1
InChIInChI=1S/C14H19NO5S/c1-10(12-3-2-6-18-12)15-21(16,17)11-4-5-13-14(9-11)20-8-7-19-13/h4-5,9-10,12,15H,2-3,6-8H2,1H3
InChIKeyNODCWAOJWSYJKS-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.30
Rot. Bonds4

About N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 42955258) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID42955258
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)OCCO2)C1CCCO1
InChIInChI=1S/C14H19NO5S/c1-10(12-3-2-6-18-12)15-21(16,17)11-4-5-13-14(9-11)20-8-7-19-13/h4-5,9-10,12,15H,2-3,6-8H2,1H3
InChIKeyNODCWAOJWSYJKS-UHFFFAOYSA-N
XLogP1.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
CID 43533925
2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43421894
4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 43612644
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 30478931
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846
(2S)-N-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide
CID 2101288
(2R)-N-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide
CID 2101289
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
CID 3963804
2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115477966
N-[(2S)-6-methylheptan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 29431829

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 42955258) is N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)OCCO2)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is NODCWAOJWSYJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-10(12-3-2-6-18-12)15-21(16,17)11-4-5-13-14(9-11)20-8-7-19-13/h4-5,9-10,12,15H,2-3,6-8H2,1H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 42955258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).