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

C15H14N2O5S — CID 2572524

IUPACN-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H14N2O5S/c16-23(19,20)12-4-1-10(2-5-12)8-17-15(18)11-3-6-13-14(7-11)22-9-21-13/h1-7H,8-9H2,(H,17,18)(H2,16,19,20)
InChIKeyOOXIYYVSYYIUTO-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.99
Rot. Bonds4

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

N-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 2572524) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID2572524
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H14N2O5S/c16-23(19,20)12-4-1-10(2-5-12)8-17-15(18)11-3-6-13-14(7-11)22-9-21-13/h1-7H,8-9H2,(H,17,18)(H2,16,19,20)
InChIKeyOOXIYYVSYYIUTO-UHFFFAOYSA-N
XLogP0.99
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide (CID 2572524) is N-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OOXIYYVSYYIUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c16-23(19,20)12-4-1-10(2-5-12)8-17-15(18)11-3-6-13-14(7-11)22-9-21-13/h1-7H,8-9H2,(H,17,18)(H2,16,19,20).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 2572524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).