5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H13F3N2O4S — CID 102945869

IUPAC5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2O4S/c1-18-7-4-8(19-2)9(3-6(7)14)20(16,17)15-5-10(11,12)13/h3-4,15H,5,14H2,1-2H3
InChIKeyWZXRAQYRLINGHG-UHFFFAOYSA-N
MW314.29 g/mol
LogP1.13
Rot. Bonds5

About 5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide

5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 102945869) has the molecular formula C10H13F3N2O4S and a molecular weight of 314.29 g/mol. Its IUPAC name is 5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID102945869
Molecular FormulaC10H13F3N2O4S
Molecular Weight314.29 g/mol
Exact Mass314.05
IUPAC Name5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2O4S/c1-18-7-4-8(19-2)9(3-6(7)14)20(16,17)15-5-10(11,12)13/h3-4,15H,5,14H2,1-2H3
InChIKeyWZXRAQYRLINGHG-UHFFFAOYSA-N
XLogP1.13
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,4-dimethoxybenzenesulfonamide
CID 106165551
5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29033942
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide
CID 102946020
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180466
5-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 81413927
5-amino-4-bromo-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460098
3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274875
5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide
CID 102946119
5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 102945870
5-amino-2,4-dimethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392075

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 102945869) is 5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide is COc1cc(OC)c(S(=O)(=O)NCC(F)(F)F)cc1N.
What is the InChIKey of 5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is WZXRAQYRLINGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O4S/c1-18-7-4-8(19-2)9(3-6(7)14)20(16,17)15-5-10(11,12)13/h3-4,15H,5,14H2,1-2H3.
What are the key properties of 5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 314.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 102945869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).