N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide

C19H21FN2O6S — CID 55841613

IUPACN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)ccc1OC
InChIInChI=1S/C19H21FN2O6S/c1-21-29(24,25)17-9-13(3-4-16(17)26-2)19(23)22-6-5-12-7-15(20)8-14-10-27-11-28-18(12)14/h3-4,7-9,21H,5-6,10-11H2,1-2H3,(H,22,23)
InChIKeyMYKQFFPNOZRYOS-UHFFFAOYSA-N
MW424.45 g/mol
LogP1.58
Rot. Bonds7

About N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 55841613) has the molecular formula C19H21FN2O6S and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID55841613
Molecular FormulaC19H21FN2O6S
Molecular Weight424.45 g/mol
Exact Mass424.11
IUPAC NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)ccc1OC
InChIInChI=1S/C19H21FN2O6S/c1-21-29(24,25)17-9-13(3-4-16(17)26-2)19(23)22-6-5-12-7-15(20)8-14-10-27-11-28-18(12)14/h3-4,7-9,21H,5-6,10-11H2,1-2H3,(H,22,23)
InChIKeyMYKQFFPNOZRYOS-UHFFFAOYSA-N
XLogP1.58
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxybenzamide
CID 55663401
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55665778
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
CID 47180608
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
CID 55841999
2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide
CID 51128406
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(3-methoxy-2-pyridinyl)urea
CID 75456111
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51120004
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]propanamide
CID 55841751

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide (CID 55841613) is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)ccc1OC.
What is the InChIKey of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is MYKQFFPNOZRYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O6S/c1-21-29(24,25)17-9-13(3-4-16(17)26-2)19(23)22-6-5-12-7-15(20)8-14-10-27-11-28-18(12)14/h3-4,7-9,21H,5-6,10-11H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 424.45 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55841613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).