2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H14F3NO3S — CID 81242025

IUPAC2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccccc1O
InChIInChI=1S/C11H14F3NO3S/c1-8(2)15(7-11(12,13)14)19(17,18)10-6-4-3-5-9(10)16/h3-6,8,16H,7H2,1-2H3
InChIKeyUNTUHUNXDOYDDG-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.35
Rot. Bonds4

About 2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 81242025) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID81242025
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccccc1O
InChIInChI=1S/C11H14F3NO3S/c1-8(2)15(7-11(12,13)14)19(17,18)10-6-4-3-5-9(10)16/h3-6,8,16H,7H2,1-2H3
InChIKeyUNTUHUNXDOYDDG-UHFFFAOYSA-N
XLogP2.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-N-propan-2-yl-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

Related Compounds

2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54979868
2-bromo-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61216605
4-(chloromethyl)-2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79177243
4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62147634
5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65020571
2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 81241920
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106491530
2-(trifluoromethylsulfonyl)phenol
CID 15731663
2-amino-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62147803
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981726
2-propan-2-ylsulfonylphenol
CID 587650
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 81242025) is 2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is UNTUHUNXDOYDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-8(2)15(7-11(12,13)14)19(17,18)10-6-4-3-5-9(10)16/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 81242025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).