4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide

C9H10F3NO4S — CID 155817745

IUPAC4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO4S/c1-13(2)18(15,16)8-4-3-6(14)5-7(8)17-9(10,11)12/h3-5,14H,1-2H3
InChIKeyMBBYGPHSOSNEMB-UHFFFAOYSA-N
MW285.24 g/mol
LogP1.54
Rot. Bonds3

About 4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide

4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 155817745) has the molecular formula C9H10F3NO4S and a molecular weight of 285.24 g/mol. Its IUPAC name is 4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID155817745
Molecular FormulaC9H10F3NO4S
Molecular Weight285.24 g/mol
Exact Mass285.03
IUPAC Name4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO4S/c1-13(2)18(15,16)8-4-3-6(14)5-7(8)17-9(10,11)12/h3-5,14H,1-2H3
InChIKeyMBBYGPHSOSNEMB-UHFFFAOYSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
CID 139790493
5-hydroxy-N,N,2-trimethylbenzenesulfonamide
CID 21127023
4-methoxy-3-(trifluoromethoxy)phenol
CID 67275723
1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
CID 167069993
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide
CID 53222199
ethane;3-methoxy-4-(trifluoromethoxy)phenol
CID 142516973
2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 160787118
4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
CID 134639001
methyl 4-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-methylamino]benzoate
CID 3863596
N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 66187577
2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619731
N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 31075623

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide (CID 155817745) is 4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(O)cc1OC(F)(F)F.
What is the InChIKey of 4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is MBBYGPHSOSNEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S/c1-13(2)18(15,16)8-4-3-6(14)5-7(8)17-9(10,11)12/h3-5,14H,1-2H3.
What are the key properties of 4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide?
4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 285.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-dimethyl-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 155817745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).