1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea

C14H13N3O5S — CID 24818574

IUPAC1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C14H13N3O5S/c15-23(19,20)11-4-1-9(2-5-11)16-14(18)17-10-3-6-12-13(7-10)22-8-21-12/h1-7H,8H2,(H2,15,19,20)(H2,16,17,18)
InChIKeyHPAYAOMOTTXJHT-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.71
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea

1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea (PubChem CID 24818574) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea
PubChem CID24818574
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C14H13N3O5S/c15-23(19,20)11-4-1-9(2-5-11)16-14(18)17-10-3-6-12-13(7-10)22-8-21-12/h1-7H,8H2,(H2,15,19,20)(H2,16,17,18)
InChIKeyHPAYAOMOTTXJHT-UHFFFAOYSA-N
XLogP1.71
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea (CID 24818574) is 1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is HPAYAOMOTTXJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c15-23(19,20)11-4-1-9(2-5-11)16-14(18)17-10-3-6-12-13(7-10)22-8-21-12/h1-7H,8H2,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 335.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 24818574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).