2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide

C11H16F3N3O2S — CID 107116285

IUPAC2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCCC(F)(F)F)c1N
InChIInChI=1S/C11H16F3N3O2S/c1-17(2)20(18,19)9-5-3-4-8(10(9)15)16-7-6-11(12,13)14/h3-5,16H,6-7,15H2,1-2H3
InChIKeyWCMBFKBENPIZCM-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.88
Rot. Bonds5

About 2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide

2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide (PubChem CID 107116285) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
PubChem CID107116285
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCCC(F)(F)F)c1N
InChIInChI=1S/C11H16F3N3O2S/c1-17(2)20(18,19)9-5-3-4-8(10(9)15)16-7-6-11(12,13)14/h3-5,16H,6-7,15H2,1-2H3
InChIKeyWCMBFKBENPIZCM-UHFFFAOYSA-N
XLogP1.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
2-amino-3-[(2-ethyl-2-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116413
2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 107116608
2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 107115573
2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide
CID 107116008
2-amino-N,N-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
CID 107116378
2-amino-N,N-dimethyl-3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 107115947
2-amino-3-[2-(1H-imidazol-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 107116762
2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115669
3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide
CID 106095636

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide (CID 107116285) is 2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NCCC(F)(F)F)c1N.
What is the InChIKey of 2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide?
The InChIKey is WCMBFKBENPIZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-17(2)20(18,19)9-5-3-4-8(10(9)15)16-7-6-11(12,13)14/h3-5,16H,6-7,15H2,1-2H3.
What are the key properties of 2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide?
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide is sourced from PubChem (CID 107116285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).