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

C15H15NO4S — CID 2366976

IUPACN-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H15NO4S/c17-21(18,16-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10,16H,8-9,11H2
InChIKeyVROLAYPEQMZLHQ-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.94
Rot. Bonds4

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

N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2366976) has the molecular formula C15H15NO4S and a molecular weight of 305.35 g/mol. Its IUPAC name is N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2366976
Molecular FormulaC15H15NO4S
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC NameN-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H15NO4S/c17-21(18,16-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10,16H,8-9,11H2
InChIKeyVROLAYPEQMZLHQ-UHFFFAOYSA-N
XLogP1.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,5-diethoxybenzenesulfonamide
CID 775818
N-[(4-methoxyphenyl)methyl]-4-propoxybenzenesulfonamide
CID 1870954
2-[(3,4-Dimethoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 667700
N-[5-[(2,6-difluorophenyl)sulfonylamino]pentyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 25243782
N-[4-[(2,6-difluorophenyl)sulfonylamino]butyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
CID 25243786
3,4-Dimethoxy-N-phenethyl-benzenesulfonamide
CID 740562
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-(2-methylbenzyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 652131
N-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 757234
N-(4-methylbenzyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 801583
N-(2-chlorobenzyl)-3,4-dimethoxybenzenesulfonamide
CID 888457
N-(2,4,6-trimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 900631

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2366976) is N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is VROLAYPEQMZLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-21(18,16-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10,16H,8-9,11H2.
What are the key properties of N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 305.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2366976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).