2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene

C13H11F3N2O3S — CID 11232827

IUPAC2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C13H11F3N2O3S/c14-13(15,16)10-4-1-8(2-5-10)9-3-6-11(12(19)7-9)18-22(17,20)21/h1-7,18-19H,(H2,17,20,21)
InChIKeyPNKHLJMFHPRFFT-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.69
Rot. Bonds3

About 2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene

2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 11232827) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is 2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID11232827
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC Name2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C13H11F3N2O3S/c14-13(15,16)10-4-1-8(2-5-10)9-3-6-11(12(19)7-9)18-22(17,20)21/h1-7,18-19H,(H2,17,20,21)
InChIKeyPNKHLJMFHPRFFT-UHFFFAOYSA-N
XLogP2.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene (CID 11232827) is 2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene is NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1O.
What is the InChIKey of 2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is PNKHLJMFHPRFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c14-13(15,16)10-4-1-8(2-5-10)9-3-6-11(12(19)7-9)18-22(17,20)21/h1-7,18-19H,(H2,17,20,21).
What are the key properties of 2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 332.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 11232827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).