2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole

C15H16N2O4S — CID 11427185

IUPAC2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole
SMILESCC1(C)Oc2ccc(-c3ccc(NS(N)(=O)=O)cc3)cc2O1
InChIInChI=1S/C15H16N2O4S/c1-15(2)20-13-8-5-11(9-14(13)21-15)10-3-6-12(7-4-10)17-22(16,18)19/h3-9,17H,1-2H3,(H2,16,18,19)
InChIKeyLICGCICUXHMJMI-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.48
Rot. Bonds3

About 2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole

2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole (PubChem CID 11427185) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole.

Molecular Properties

Compound Name2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole
PubChem CID11427185
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole
SMILESCC1(C)Oc2ccc(-c3ccc(NS(N)(=O)=O)cc3)cc2O1
InChIInChI=1S/C15H16N2O4S/c1-15(2)20-13-8-5-11(9-14(13)21-15)10-3-6-12(7-4-10)17-22(16,18)19/h3-9,17H,1-2H3,(H2,16,18,19)
InChIKeyLICGCICUXHMJMI-UHFFFAOYSA-N
XLogP2.48
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
The IUPAC name of 2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole (CID 11427185) is 2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole.
What is the SMILES notation for 2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
The canonical SMILES for 2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole is CC1(C)Oc2ccc(-c3ccc(NS(N)(=O)=O)cc3)cc2O1.
What is the InChIKey of 2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
The InChIKey is LICGCICUXHMJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-15(2)20-13-8-5-11(9-14(13)21-15)10-3-6-12(7-4-10)17-22(16,18)19/h3-9,17H,1-2H3,(H2,16,18,19).
What are the key properties of 2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole?
2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole has a molecular weight of 320.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[4-(sulfamoylamino)phenyl]-1,3-benzodioxole is sourced from PubChem (CID 11427185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).