N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C12H17NO4S — CID 2866313

IUPACN,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO4S/c1-3-13(4-2)18(14,15)10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyWEQFNYQTBICKDZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.49
Rot. Bonds4

About N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2866313) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2866313
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO4S/c1-3-13(4-2)18(14,15)10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyWEQFNYQTBICKDZ-UHFFFAOYSA-N
XLogP1.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938079
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
CID 24678373
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76929421
N-(2-bromoethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 80672872
N-[(3-chlorophenyl)methyl]-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260167
N-[4-(diethylsulfamoyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide
CID 3417972
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125754
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetic acid
CID 2893755
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide
CID 18165466
N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759162
N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 63224866

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2866313) is N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is WEQFNYQTBICKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-13(4-2)18(14,15)10-5-6-11-12(9-10)17-8-7-16-11/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2866313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).