4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide

C15H14F3NO4S — CID 53222199

IUPAC4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C15H14F3NO4S/c1-19(2)24(21,22)14-5-3-10(4-6-14)11-7-12(20)9-13(8-11)23-15(16,17)18/h3-9,20H,1-2H3
InChIKeyQHFJAMNFWUBNCA-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.21
Rot. Bonds4

About 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide

4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 53222199) has the molecular formula C15H14F3NO4S and a molecular weight of 361.34 g/mol. Its IUPAC name is 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide
PubChem CID53222199
Molecular FormulaC15H14F3NO4S
Molecular Weight361.34 g/mol
Exact Mass361.06
IUPAC Name4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C15H14F3NO4S/c1-19(2)24(21,22)14-5-3-10(4-6-14)11-7-12(20)9-13(8-11)23-15(16,17)18/h3-9,20H,1-2H3
InChIKeyQHFJAMNFWUBNCA-UHFFFAOYSA-N
XLogP3.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide (CID 53222199) is 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1.
What is the InChIKey of 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is QHFJAMNFWUBNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S/c1-19(2)24(21,22)14-5-3-10(4-6-14)11-7-12(20)9-13(8-11)23-15(16,17)18/h3-9,20H,1-2H3.
What are the key properties of 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide?
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 361.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 53222199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).