N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide

C16H16N2O5S — CID 742896

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H16N2O5S/c17-24(20,21)13-4-1-11(2-5-13)7-8-18-16(19)12-3-6-14-15(9-12)23-10-22-14/h1-6,9H,7-8,10H2,(H,18,19)(H2,17,20,21)
InChIKeyGOLSCTYRIHYNDE-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.04
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 742896) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID742896
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H16N2O5S/c17-24(20,21)13-4-1-11(2-5-13)7-8-18-16(19)12-3-6-14-15(9-12)23-10-22-14/h1-6,9H,7-8,10H2,(H,18,19)(H2,17,20,21)
InChIKeyGOLSCTYRIHYNDE-UHFFFAOYSA-N
XLogP1.04
TPSA107.72 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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 742896) is N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is GOLSCTYRIHYNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c17-24(20,21)13-4-1-11(2-5-13)7-8-18-16(19)12-3-6-14-15(9-12)23-10-22-14/h1-6,9H,7-8,10H2,(H,18,19)(H2,17,20,21).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 742896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).