2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide

C16H15ClN2O6S — CID 1290492

IUPAC2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OCC(N)=O
InChIInChI=1S/C16H15ClN2O6S/c1-9-4-11(17)15(6-13(9)23-7-16(18)20)26(21,22)19-10-2-3-12-14(5-10)25-8-24-12/h2-6,19H,7-8H2,1H3,(H2,18,20)
InChIKeyYITVIHSEAXMHQD-UHFFFAOYSA-N
MW398.82 g/mol
LogP2.04
Rot. Bonds6

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

2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide (PubChem CID 1290492) has the molecular formula C16H15ClN2O6S and a molecular weight of 398.82 g/mol. Its IUPAC name is 2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide
PubChem CID1290492
Molecular FormulaC16H15ClN2O6S
Molecular Weight398.82 g/mol
Exact Mass398.03
IUPAC Name2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OCC(N)=O
InChIInChI=1S/C16H15ClN2O6S/c1-9-4-11(17)15(6-13(9)23-7-16(18)20)26(21,22)19-10-2-3-12-14(5-10)25-8-24-12/h2-6,19H,7-8H2,1H3,(H2,18,20)
InChIKeyYITVIHSEAXMHQD-UHFFFAOYSA-N
XLogP2.04
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide?
The IUPAC name of 2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide (CID 1290492) is 2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide.
What is the SMILES notation for 2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide?
The canonical SMILES for 2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OCC(N)=O.
What is the InChIKey of 2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide?
The InChIKey is YITVIHSEAXMHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O6S/c1-9-4-11(17)15(6-13(9)23-7-16(18)20)26(21,22)19-10-2-3-12-14(5-10)25-8-24-12/h2-6,19H,7-8H2,1H3,(H2,18,20).
What are the key properties of 2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide?
2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide has a molecular weight of 398.82 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzodioxol-5-ylsulfamoyl)-4-chloro-2-methylphenoxy]acetamide is sourced from PubChem (CID 1290492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).