2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene

C13H21FN2O3S — CID 71847521

IUPAC2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene
SMILESCCCN(C)S(=O)(=O)NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H21FN2O3S/c1-5-8-16(3)20(17,18)15-10(2)11-6-7-13(19-4)12(14)9-11/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyRKZXYJUWFGSZDL-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.07
Rot. Bonds7

About 2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene

2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene (PubChem CID 71847521) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene
PubChem CID71847521
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene
SMILESCCCN(C)S(=O)(=O)NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H21FN2O3S/c1-5-8-16(3)20(17,18)15-10(2)11-6-7-13(19-4)12(14)9-11/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyRKZXYJUWFGSZDL-UHFFFAOYSA-N
XLogP2.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 18097055
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 38255503
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzene-1,4-disulfonamide
CID 46633618
3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 26012217
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]azepane-1-sulfonamide
CID 18148519

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene?
The IUPAC name of 2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene (CID 71847521) is 2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene?
The canonical SMILES for 2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene is CCCN(C)S(=O)(=O)NC(C)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene?
The InChIKey is RKZXYJUWFGSZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-5-8-16(3)20(17,18)15-10(2)11-6-7-13(19-4)12(14)9-11/h6-7,9-10,15H,5,8H2,1-4H3.
What are the key properties of 2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene?
2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene has a molecular weight of 304.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-4-[1-[[methyl(propyl)sulfamoyl]amino]ethyl]benzene is sourced from PubChem (CID 71847521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).