N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide

C16H18N2O6S2 — CID 110287737

IUPACN-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H18N2O6S2/c1-18(13-5-3-2-4-6-13)25(19,20)10-9-17-26(21,22)14-7-8-15-16(11-14)24-12-23-15/h2-8,11,17H,9-10,12H2,1H3
InChIKeyYSZJVSKSJAXEDD-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.16
Rot. Bonds7

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

N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110287737) has the molecular formula C16H18N2O6S2 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110287737
Molecular FormulaC16H18N2O6S2
Molecular Weight398.46 g/mol
Exact Mass398.06
IUPAC NameN-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H18N2O6S2/c1-18(13-5-3-2-4-6-13)25(19,20)10-9-17-26(21,22)14-7-8-15-16(11-14)24-12-23-15/h2-8,11,17H,9-10,12H2,1H3
InChIKeyYSZJVSKSJAXEDD-UHFFFAOYSA-N
XLogP1.16
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide
CID 110287605
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110345927
N-[(4-ethylphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110779544
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110359364
N-[2-(2,5-dimethylphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110787318
N-[4-(2-chlorophenyl)butyl]-1,3-benzodioxole-5-sulfonamide
CID 110409301
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17451134
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
N-[(2-methyl-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110782363

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide (CID 110287737) is N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide is CN(c1ccccc1)S(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is YSZJVSKSJAXEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S2/c1-18(13-5-3-2-4-6-13)25(19,20)10-9-17-26(21,22)14-7-8-15-16(11-14)24-12-23-15/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide?
N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 398.46 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110287737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).