4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide

C11H15F3N2O2S — CID 170459200

IUPAC4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O2S/c1-3-16(4-2)19(17,18)8-5-6-10(15)9(7-8)11(12,13)14/h5-7H,3-4,15H2,1-2H3
InChIKeyDQJXAUSCHFLPSN-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.32
Rot. Bonds4

About 4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide

4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 170459200) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID170459200
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O2S/c1-3-16(4-2)19(17,18)8-5-6-10(15)9(7-8)11(12,13)14/h5-7H,3-4,15H2,1-2H3
InChIKeyDQJXAUSCHFLPSN-UHFFFAOYSA-N
XLogP2.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.32
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-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 170459204
4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)aniline
CID 171391113
2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 47090018
4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide
CID 134017324
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
4-(benzenesulfonyl)-2-(trifluoromethyl)aniline
CID 121234890
4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide
CID 24996616
4-[4-amino-3-(trifluoromethyl)phenyl]sulfonylbutane-1-sulfonamide
CID 54517777
4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 113468571
4-[2-[ethyl(2-phenylethyl)amino]phenyl]sulfonyl-2-(trifluoromethyl)aniline
CID 57113925
N-[(2S)-2-amino-2-[3,4-bis(trifluoromethyl)phenyl]ethyl]-N-ethyl-4-nitrobenzenesulfonamide;hydrochloride
CID 90189929
4-[2-[ethyl(2-methoxyethyl)amino]phenyl]sulfonyl-2-(trifluoromethyl)aniline
CID 57251949

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide (CID 170459200) is 4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DQJXAUSCHFLPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-3-16(4-2)19(17,18)8-5-6-10(15)9(7-8)11(12,13)14/h5-7H,3-4,15H2,1-2H3.
What are the key properties of 4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide?
4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 296.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 170459200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).