2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide

C17H17ClN2O6S — CID 992286

IUPAC2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1OCC(N)=O
InChIInChI=1S/C17H17ClN2O6S/c1-10-6-12(18)16(8-14(10)26-9-17(19)21)27(22,23)20-11-2-3-13-15(7-11)25-5-4-24-13/h2-3,6-8,20H,4-5,9H2,1H3,(H2,19,21)
InChIKeyCPUKDOOUIOWSSR-UHFFFAOYSA-N
MW412.85 g/mol
LogP2.08
Rot. Bonds6

About 2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide

2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide (PubChem CID 992286) has the molecular formula C17H17ClN2O6S and a molecular weight of 412.85 g/mol. Its IUPAC name is 2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide
PubChem CID992286
Molecular FormulaC17H17ClN2O6S
Molecular Weight412.85 g/mol
Exact Mass412.05
IUPAC Name2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1OCC(N)=O
InChIInChI=1S/C17H17ClN2O6S/c1-10-6-12(18)16(8-14(10)26-9-17(19)21)27(22,23)20-11-2-3-13-15(7-11)25-5-4-24-13/h2-3,6-8,20H,4-5,9H2,1H3,(H2,19,21)
InChIKeyCPUKDOOUIOWSSR-UHFFFAOYSA-N
XLogP2.08
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide?
The IUPAC name of 2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide (CID 992286) is 2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide?
The InChIKey is CPUKDOOUIOWSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O6S/c1-10-6-12(18)16(8-14(10)26-9-17(19)21)27(22,23)20-11-2-3-13-15(7-11)25-5-4-24-13/h2-3,6-8,20H,4-5,9H2,1H3,(H2,19,21).
What are the key properties of 2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide?
2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide has a molecular weight of 412.85 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-methylphenoxy]acetamide is sourced from PubChem (CID 992286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).