8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine

C15H23FN2O4S — CID 47062226

IUPAC8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine
SMILESCCCCN(C)S(=O)(=O)NCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C15H23FN2O4S/c1-3-4-7-18(2)23(19,20)17-6-5-12-8-14(16)9-13-10-21-11-22-15(12)13/h8-9,17H,3-7,10-11H2,1-2H3
InChIKeyBCRXUSBAWZMZPV-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.80
Rot. Bonds8

About 8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine

8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine (PubChem CID 47062226) has the molecular formula C15H23FN2O4S and a molecular weight of 346.42 g/mol. Its IUPAC name is 8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine.

Molecular Properties

Compound Name8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine
PubChem CID47062226
Molecular FormulaC15H23FN2O4S
Molecular Weight346.42 g/mol
Exact Mass346.14
IUPAC Name8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine
SMILESCCCCN(C)S(=O)(=O)NCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C15H23FN2O4S/c1-3-4-7-18(2)23(19,20)17-6-5-12-8-14(16)9-13-10-21-11-22-15(12)13/h8-9,17H,3-7,10-11H2,1-2H3
InChIKeyBCRXUSBAWZMZPV-UHFFFAOYSA-N
XLogP1.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine?
The IUPAC name of 8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine (CID 47062226) is 8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine.
What is the SMILES notation for 8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine?
The canonical SMILES for 8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine is CCCCN(C)S(=O)(=O)NCCc1cc(F)cc2c1OCOC2.
What is the InChIKey of 8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine?
The InChIKey is BCRXUSBAWZMZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4S/c1-3-4-7-18(2)23(19,20)17-6-5-12-8-14(16)9-13-10-21-11-22-15(12)13/h8-9,17H,3-7,10-11H2,1-2H3.
What are the key properties of 8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine?
8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine has a molecular weight of 346.42 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine is sourced from PubChem (CID 47062226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).