N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide

C15H15NO6S — CID 22774071

IUPACN-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C15H15NO6S/c1-19-11-4-6-15(14(8-11)20-2)23(17,18)16-10-3-5-12-13(7-10)22-9-21-12/h3-8,16H,9H2,1-2H3
InChIKeyBPAABFXIWSXZOG-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.23
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide

N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 22774071) has the molecular formula C15H15NO6S and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
PubChem CID22774071
Molecular FormulaC15H15NO6S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C15H15NO6S/c1-19-11-4-6-15(14(8-11)20-2)23(17,18)16-10-3-5-12-13(7-10)22-9-21-12/h3-8,16H,9H2,1-2H3
InChIKeyBPAABFXIWSXZOG-UHFFFAOYSA-N
XLogP2.23
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_C(5)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide
CID 25237237
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(1,3-benzodioxol-5-yl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 110757773
5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoate
CID 6980392

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide (CID 22774071) is N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(OC)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is BPAABFXIWSXZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S/c1-19-11-4-6-15(14(8-11)20-2)23(17,18)16-10-3-5-12-13(7-10)22-9-21-12/h3-8,16H,9H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 337.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22774071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).