N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide

C16H16N2O5S — CID 733023

IUPACN-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H16N2O5S/c1-11(19)18-13-3-5-14(6-4-13)24(20,21)17-9-12-2-7-15-16(8-12)23-10-22-15/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyQIEXJUZBFRBKML-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.85
Rot. Bonds5

About N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide

N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 733023) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID733023
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H16N2O5S/c1-11(19)18-13-3-5-14(6-4-13)24(20,21)17-9-12-2-7-15-16(8-12)23-10-22-15/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyQIEXJUZBFRBKML-UHFFFAOYSA-N
XLogP1.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide (CID 733023) is N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is QIEXJUZBFRBKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11(19)18-13-3-5-14(6-4-13)24(20,21)17-9-12-2-7-15-16(8-12)23-10-22-15/h2-8,17H,9-10H2,1H3,(H,18,19).
What are the key properties of N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide?
N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 348.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 733023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).