4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide

C11H15F3N2O3S — CID 82954770

IUPAC4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(OCCC(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O3S/c1-2-16-20(17,18)8-3-4-9(15)10(7-8)19-6-5-11(12,13)14/h3-4,7,16H,2,5-6,15H2,1H3
InChIKeyVIACIDKOSSYJGI-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.90
Rot. Bonds6

About 4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide

4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide (PubChem CID 82954770) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide
PubChem CID82954770
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC Name4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(OCCC(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O3S/c1-2-16-20(17,18)8-3-4-9(15)10(7-8)19-6-5-11(12,13)14/h3-4,7,16H,2,5-6,15H2,1H3
InChIKeyVIACIDKOSSYJGI-UHFFFAOYSA-N
XLogP1.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.90
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

4-amino-N-ethyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82902346
4-amino-N-methyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82900533
4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
CID 82900824
4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 82901044
4-amino-N-ethyl-3-(2-methylphenoxy)benzenesulfonamide
CID 82903326
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643
4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide
CID 82902167
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029
4-ethylsulfonyl-2-propoxyaniline
CID 63670906
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 82901458

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide (CID 82954770) is 4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(OCCC(F)(F)F)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide?
The InChIKey is VIACIDKOSSYJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-2-16-20(17,18)8-3-4-9(15)10(7-8)19-6-5-11(12,13)14/h3-4,7,16H,2,5-6,15H2,1H3.
What are the key properties of 4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide?
4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide is sourced from PubChem (CID 82954770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).