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

C9H12F3N3O2S — CID 114804289

IUPAC1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene
SMILESCN(c1ccc(N)cc1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2S/c1-15(8-4-2-7(13)3-5-8)18(16,17)14-6-9(10,11)12/h2-5,14H,6,13H2,1H3
InChIKeyFJFWMQTXEPGOLJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.10
Rot. Bonds4

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

1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene (PubChem CID 114804289) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene.

Molecular Properties

Compound Name1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene
PubChem CID114804289
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.28 g/mol
Exact Mass283.06
IUPAC Name1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene
SMILESCN(c1ccc(N)cc1)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2S/c1-15(8-4-2-7(13)3-5-8)18(16,17)14-6-9(10,11)12/h2-5,14H,6,13H2,1H3
InChIKeyFJFWMQTXEPGOLJ-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
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]methyl]benzene
CID 114804344
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]aniline
CID 114804619
1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene
CID 114804293
2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962159
4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine
CID 28894518
N-(4-aminophenyl)-N-methylpropane-1-sulfonamide
CID 28894568
1-amino-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114804346
propan-2-yl N-[(4-aminophenyl)-methylsulfamoyl]carbamate
CID 114461530
4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine
CID 64566301
N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 43114424
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene?
The IUPAC name of 1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene (CID 114804289) is 1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene.
What is the SMILES notation for 1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene?
The canonical SMILES for 1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene is CN(c1ccc(N)cc1)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene?
The InChIKey is FJFWMQTXEPGOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c1-15(8-4-2-7(13)3-5-8)18(16,17)14-6-9(10,11)12/h2-5,14H,6,13H2,1H3.
What are the key properties of 1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene?
1-amino-4-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]benzene has a molecular weight of 283.28 g/mol, XLogP of 1.10, 4 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]benzene is sourced from PubChem (CID 114804289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).