N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide

C11H14N2O5S — CID 47336935

IUPACN-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H14N2O5S/c12-19(15,16)5-1-4-13-11(14)8-2-3-9-10(6-8)18-7-17-9/h2-3,6H,1,4-5,7H2,(H,13,14)(H2,12,15,16)
InChIKeyLLQUAJYOURASLO-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.18
Rot. Bonds5

About N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide

N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 47336935) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide
PubChem CID47336935
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC NameN-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H14N2O5S/c12-19(15,16)5-1-4-13-11(14)8-2-3-9-10(6-8)18-7-17-9/h2-3,6H,1,4-5,7H2,(H,13,14)(H2,12,15,16)
InChIKeyLLQUAJYOURASLO-UHFFFAOYSA-N
XLogP-0.18
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
CID 110463600
N-pent-4-ynyl-1,3-benzodioxole-5-carboxamide
CID 103708735
N-(4-bromopentyl)-1,3-benzodioxole-5-carboxamide
CID 114147566
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-[4-[[(E)-2-methylbut-2-enoyl]amino]butyl]-1,3-benzodioxole-5-carboxamide
CID 175600146
2-amino-4-(1,3-benzodioxole-5-carbonylamino)butanoic acid
CID 70945719
N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108574611
N-[4-(4-fluorophenyl)butyl]-1,3-benzodioxole-5-carboxamide
CID 110288748
N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423397
N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 107843665
N-[2-(4-oxopentanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542975

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide (CID 47336935) is N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide is NS(=O)(=O)CCCNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is LLQUAJYOURASLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c12-19(15,16)5-1-4-13-11(14)8-2-3-9-10(6-8)18-7-17-9/h2-3,6H,1,4-5,7H2,(H,13,14)(H2,12,15,16).
What are the key properties of N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide?
N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 286.31 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 47336935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).