6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine

C14H14N2O4S — CID 23626142

IUPAC6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine
SMILESNS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C14H14N2O4S/c15-21(17,18)16-12-4-1-10(2-5-12)11-3-6-13-14(9-11)20-8-7-19-13/h1-6,9,16H,7-8H2,(H2,15,17,18)
InChIKeyKJDGJSCLDYWTGN-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.74
Rot. Bonds3

About 6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine

6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 23626142) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID23626142
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine
SMILESNS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C14H14N2O4S/c15-21(17,18)16-12-4-1-10(2-5-12)11-3-6-13-14(9-11)20-8-7-19-13/h1-6,9,16H,7-8H2,(H2,15,17,18)
InChIKeyKJDGJSCLDYWTGN-UHFFFAOYSA-N
XLogP1.74
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine (CID 23626142) is 6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine is NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is KJDGJSCLDYWTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c15-21(17,18)16-12-4-1-10(2-5-12)11-3-6-13-14(9-11)20-8-7-19-13/h1-6,9,16H,7-8H2,(H2,15,17,18).
What are the key properties of 6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine?
6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 306.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(sulfamoylamino)phenyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 23626142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).