[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium

C19H25FN3O4S+ — CID 9431466

IUPAC[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1F
InChIInChI=1S/C19H24FN3O4S/c1-22(2)28(25,26)16-7-5-6-15(11-16)21-19(24)13-23(3)12-14-8-9-18(27-4)17(20)10-14/h5-11H,12-13H2,1-4H3,(H,21,24)/p+1
InChIKeyFSUQVDKUINYVEU-UHFFFAOYSA-O
MW410.49 g/mol
LogP0.74
Rot. Bonds8

About [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium (PubChem CID 9431466) has the molecular formula C19H25FN3O4S+ and a molecular weight of 410.49 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
PubChem CID9431466
Molecular FormulaC19H25FN3O4S+
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1F
InChIInChI=1S/C19H24FN3O4S/c1-22(2)28(25,26)16-7-5-6-15(11-16)21-19(24)13-23(3)12-14-8-9-18(27-4)17(20)10-14/h5-11H,12-13H2,1-4H3,(H,21,24)/p+1
InChIKeyFSUQVDKUINYVEU-UHFFFAOYSA-O
XLogP0.74
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432127
(3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9251237
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253307
(2-chloro-6-fluorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9197276
[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432073
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9265045
[2-(4-ethoxyanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9266861
[2-(2-cyanoanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431380
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432682
(3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9291603
(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium (CID 9431466) is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium is COc1ccc(C[NH+](C)CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1F.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
The InChIKey is FSUQVDKUINYVEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24FN3O4S/c1-22(2)28(25,26)16-7-5-6-15(11-16)21-19(24)13-23(3)12-14-8-9-18(27-4)17(20)10-14/h5-11H,12-13H2,1-4H3,(H,21,24)/p+1.
What are the key properties of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium?
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium has a molecular weight of 410.49 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 9431466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).