1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene

C10H14F3N3O2S — CID 114804344

IUPAC1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene
SMILESCN(Cc1ccc(N)cc1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-16(6-8-2-4-9(14)5-3-8)19(17,18)15-7-10(11,12)13/h2-5,15H,6-7,14H2,1H3
InChIKeyJIIUWKONKITVGH-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.10
Rot. Bonds5

About 1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene

1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene (PubChem CID 114804344) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene
PubChem CID114804344
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene
SMILESCN(Cc1ccc(N)cc1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-16(6-8-2-4-9(14)5-3-8)19(17,18)15-7-10(11,12)13/h2-5,15H,6-7,14H2,1H3
InChIKeyJIIUWKONKITVGH-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene
CID 114804289
1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114804346
4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]aniline
CID 114804619
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
2-(3-aminoprop-1-ynyl)-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]thiophene
CID 114812155
[(2-ethyl-2-hydroxybutyl)sulfamoyl-methylamino]methylbenzene
CID 65112961
1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
CID 43576201
1-[[[(3S)-3-aminobutyl]sulfamoyl-methylamino]methyl]-4-chlorobenzene
CID 100655569
1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114803642
1-amino-4-[[ethylsulfamoyl(propan-2-yl)amino]methyl]benzene
CID 114804386
1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
CID 114804340
1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene
CID 43602691

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene?
The IUPAC name of 1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene (CID 114804344) is 1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene.
What is the SMILES notation for 1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene?
The canonical SMILES for 1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene is CN(Cc1ccc(N)cc1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene?
The InChIKey is JIIUWKONKITVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-16(6-8-2-4-9(14)5-3-8)19(17,18)15-7-10(11,12)13/h2-5,15H,6-7,14H2,1H3.
What are the key properties of 1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene?
1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene has a molecular weight of 297.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]benzene is sourced from PubChem (CID 114804344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).