4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide

C9H11F3N2O3S — CID 54558063

IUPAC4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCO)cc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)7-5-6(1-2-8(7)13)18(16,17)14-3-4-15/h1-2,5,14-15H,3-4,13H2
InChIKeyZOOGHRMGNUNJBB-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.56
Rot. Bonds4

About 4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide

4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 54558063) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID54558063
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC Name4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCO)cc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)7-5-6(1-2-8(7)13)18(16,17)14-3-4-15/h1-2,5,14-15H,3-4,13H2
InChIKeyZOOGHRMGNUNJBB-UHFFFAOYSA-N
XLogP0.56
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 54558063) is 4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCO)cc1C(F)(F)F.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZOOGHRMGNUNJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c10-9(11,12)7-5-6(1-2-8(7)13)18(16,17)14-3-4-15/h1-2,5,14-15H,3-4,13H2.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 284.26 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 54558063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).