N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide

C13H17NO6S — CID 110359364

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESCC1(CCNS(=O)(=O)c2ccc3c(c2)OCO3)OCCO1
InChIInChI=1S/C13H17NO6S/c1-13(19-6-7-20-13)4-5-14-21(15,16)10-2-3-11-12(8-10)18-9-17-11/h2-3,8,14H,4-7,9H2,1H3
InChIKeyOSOJYZCFRREEOZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.85
Rot. Bonds5

About N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110359364) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110359364
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESCC1(CCNS(=O)(=O)c2ccc3c(c2)OCO3)OCCO1
InChIInChI=1S/C13H17NO6S/c1-13(19-6-7-20-13)4-5-14-21(15,16)10-2-3-11-12(8-10)18-9-17-11/h2-3,8,14H,4-7,9H2,1H3
InChIKeyOSOJYZCFRREEOZ-UHFFFAOYSA-N
XLogP0.85
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17451134
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide
CID 113052606
N-[2-(ethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 119973711
N-[2-(2,5-dimethylphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110787318
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110415763
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 90485725
N-[2-(4-methylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113099181
3-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110357042
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
CID 7744996
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide (CID 110359364) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide is CC1(CCNS(=O)(=O)c2ccc3c(c2)OCO3)OCCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is OSOJYZCFRREEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-13(19-6-7-20-13)4-5-14-21(15,16)10-2-3-11-12(8-10)18-9-17-11/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110359364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).