4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide

C13H11F3N2O3S — CID 67558009

IUPAC4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O)c2)cc1
InChIInChI=1S/C13H11F3N2O3S/c14-13(15,16)11-6-3-9(7-12(11)19)18-22(20,21)10-4-1-8(17)2-5-10/h1-7,18-19H,17H2
InChIKeyZTIKDCFDBLOSFN-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.79
Rot. Bonds3

About 4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide

4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 67558009) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is 4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID67558009
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC Name4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O)c2)cc1
InChIInChI=1S/C13H11F3N2O3S/c14-13(15,16)11-6-3-9(7-12(11)19)18-22(20,21)10-4-1-8(17)2-5-10/h1-7,18-19H,17H2
InChIKeyZTIKDCFDBLOSFN-UHFFFAOYSA-N
XLogP2.79
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.79
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-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 67558009) is 4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O)c2)cc1.
What is the InChIKey of 4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is ZTIKDCFDBLOSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c14-13(15,16)11-6-3-9(7-12(11)19)18-22(20,21)10-4-1-8(17)2-5-10/h1-7,18-19H,17H2.
What are the key properties of 4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 332.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-hydroxy-4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67558009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).