4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide

C10H13F3N2O2S — CID 170459204

IUPAC4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O2S/c1-3-15(2)18(16,17)7-4-5-9(14)8(6-7)10(11,12)13/h4-6H,3,14H2,1-2H3
InChIKeyLOPXNWAKFOREGN-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.93
Rot. Bonds3

About 4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide

4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 170459204) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID170459204
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O2S/c1-3-15(2)18(16,17)7-4-5-9(14)8(6-7)10(11,12)13/h4-6H,3,14H2,1-2H3
InChIKeyLOPXNWAKFOREGN-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 170459200
4-amino-N-ethyl-N-methyl-3-nitrobenzenesulfonamide
CID 43263670
N-(2-aminoethyl)-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 62687721
4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)aniline
CID 171391113
3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43162703
4-(benzenesulfonyl)-2-(trifluoromethyl)aniline
CID 121234890
4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 82843782
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119991472
4-[2-[ethyl(2-phenylethyl)amino]phenyl]sulfonyl-2-(trifluoromethyl)aniline
CID 57113925
4-[2-[ethyl(2-methoxyethyl)amino]phenyl]sulfonyl-2-(trifluoromethyl)aniline
CID 57251949
4-[4-amino-3-(trifluoromethyl)phenyl]sulfonylbutane-1-sulfonamide
CID 54517777
4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
CID 106919113

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 170459204) is 4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide is CCN(C)S(=O)(=O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LOPXNWAKFOREGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-3-15(2)18(16,17)7-4-5-9(14)8(6-7)10(11,12)13/h4-6H,3,14H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide?
4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 170459204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).