4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide

C16H17F3N2O4S — CID 169204679

IUPAC4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCCOc1cc(N)ccc1S(=O)(=O)Nc1ccc(C)c(OC(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O4S/c1-3-24-14-8-11(20)5-7-15(14)26(22,23)21-12-6-4-10(2)13(9-12)25-16(17,18)19/h4-9,21H,3,20H2,1-2H3
InChIKeyPHBNUNZSZBFPAK-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.68
Rot. Bonds6

About 4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide

4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 169204679) has the molecular formula C16H17F3N2O4S and a molecular weight of 390.38 g/mol. Its IUPAC name is 4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID169204679
Molecular FormulaC16H17F3N2O4S
Molecular Weight390.38 g/mol
Exact Mass390.09
IUPAC Name4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCCOc1cc(N)ccc1S(=O)(=O)Nc1ccc(C)c(OC(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O4S/c1-3-24-14-8-11(20)5-7-15(14)26(22,23)21-12-6-4-10(2)13(9-12)25-16(17,18)19/h4-9,21H,3,20H2,1-2H3
InChIKeyPHBNUNZSZBFPAK-UHFFFAOYSA-N
XLogP3.68
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 169204679) is 4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide is CCOc1cc(N)ccc1S(=O)(=O)Nc1ccc(C)c(OC(F)(F)F)c1.
What is the InChIKey of 4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is PHBNUNZSZBFPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4S/c1-3-24-14-8-11(20)5-7-15(14)26(22,23)21-12-6-4-10(2)13(9-12)25-16(17,18)19/h4-9,21H,3,20H2,1-2H3.
What are the key properties of 4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide?
4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 390.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethoxy-N-[4-methyl-3-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 169204679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).