5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole

C13H12N2O4S — CID 11737887

IUPAC5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole
SMILESNS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C13H12N2O4S/c14-20(16,17)15-11-4-1-9(2-5-11)10-3-6-12-13(7-10)19-8-18-12/h1-7,15H,8H2,(H2,14,16,17)
InChIKeyZFMUZDFMEJBCPQ-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.70
Rot. Bonds3

About 5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole

5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole (PubChem CID 11737887) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole
PubChem CID11737887
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole
SMILESNS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C13H12N2O4S/c14-20(16,17)15-11-4-1-9(2-5-11)10-3-6-12-13(7-10)19-8-18-12/h1-7,15H,8H2,(H2,14,16,17)
InChIKeyZFMUZDFMEJBCPQ-UHFFFAOYSA-N
XLogP1.70
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
The IUPAC name of 5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole (CID 11737887) is 5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
The canonical SMILES for 5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole is NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
The InChIKey is ZFMUZDFMEJBCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c14-20(16,17)15-11-4-1-9(2-5-11)10-3-6-12-13(7-10)19-8-18-12/h1-7,15H,8H2,(H2,14,16,17).
What are the key properties of 5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole has a molecular weight of 292.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole is sourced from PubChem (CID 11737887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).