2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H12F3N3O3S — CID 64898918

IUPAC2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(CCO)CC(F)(F)F)c(N)c1
InChIInChI=1S/C11H12F3N3O3S/c12-11(13,14)7-17(3-4-18)21(19,20)10-2-1-8(6-15)5-9(10)16/h1-2,5,18H,3-4,7,16H2
InChIKeyAMNPUQOTYZNPPR-UHFFFAOYSA-N
MW323.30 g/mol
LogP0.69
Rot. Bonds5

About 2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 64898918) has the molecular formula C11H12F3N3O3S and a molecular weight of 323.30 g/mol. Its IUPAC name is 2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID64898918
Molecular FormulaC11H12F3N3O3S
Molecular Weight323.30 g/mol
Exact Mass323.06
IUPAC Name2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(CCO)CC(F)(F)F)c(N)c1
InChIInChI=1S/C11H12F3N3O3S/c12-11(13,14)7-17(3-4-18)21(19,20)10-2-1-8(6-15)5-9(10)16/h1-2,5,18H,3-4,7,16H2
InChIKeyAMNPUQOTYZNPPR-UHFFFAOYSA-N
XLogP0.69
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 64898918) is 2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)N(CCO)CC(F)(F)F)c(N)c1.
What is the InChIKey of 2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is AMNPUQOTYZNPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3S/c12-11(13,14)7-17(3-4-18)21(19,20)10-2-1-8(6-15)5-9(10)16/h1-2,5,18H,3-4,7,16H2.
What are the key properties of 2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 323.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 64898918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).