5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C9H11F3N2O3S — CID 29033942

IUPAC5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H11F3N2O3S/c1-17-7-3-2-6(13)4-8(7)18(15,16)14-5-9(10,11)12/h2-4,14H,5,13H2,1H3
InChIKeyQTFNLFFFXANCPI-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.12
Rot. Bonds4

About 5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide

5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 29033942) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID29033942
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC Name5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H11F3N2O3S/c1-17-7-3-2-6(13)4-8(7)18(15,16)14-5-9(10,11)12/h2-4,14H,5,13H2,1H3
InChIKeyQTFNLFFFXANCPI-UHFFFAOYSA-N
XLogP1.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.12
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

5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460090
5-amino-2,4-dimethoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102945869
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208576
4-amino-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148379
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 29033942) is 5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is QTFNLFFFXANCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c1-17-7-3-2-6(13)4-8(7)18(15,16)14-5-9(10,11)12/h2-4,14H,5,13H2,1H3.
What are the key properties of 5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 284.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 29033942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).