N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide

C13H19NO6S — CID 110369999

IUPACN-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC2OCCO2)cc1OC
InChIInChI=1S/C13H19NO6S/c1-17-11-4-3-10(9-12(11)18-2)21(15,16)14-6-5-13-19-7-8-20-13/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeyYTBOXERHMPFUAL-UHFFFAOYSA-N
MW317.36 g/mol
LogP0.75
Rot. Bonds7

About N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide

N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 110369999) has the molecular formula C13H19NO6S and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID110369999
Molecular FormulaC13H19NO6S
Molecular Weight317.36 g/mol
Exact Mass317.09
IUPAC NameN-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC2OCCO2)cc1OC
InChIInChI=1S/C13H19NO6S/c1-17-11-4-3-10(9-12(11)18-2)21(15,16)14-6-5-13-19-7-8-20-13/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeyYTBOXERHMPFUAL-UHFFFAOYSA-N
XLogP0.75
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110398472
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
N-[2-(1-adamantyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 608453
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
N-(2-ethylsulfanylethyl)-3,4-dimethoxybenzenesulfonamide
CID 3376302
N-[2-(1,3-dioxan-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370149
3,4-dimethoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719319
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103804
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 30851072
3,4-dimethoxy-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892679

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (CID 110369999) is N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCC2OCCO2)cc1OC.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is YTBOXERHMPFUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO6S/c1-17-11-4-3-10(9-12(11)18-2)21(15,16)14-6-5-13-19-7-8-20-13/h3-4,9,13-14H,5-8H2,1-2H3.
What are the key properties of N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 317.36 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110369999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).