2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol

C19H16FNO3S — CID 160629816

IUPAC2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
SMILESNc1cccc(S(=O)(=O)Cc2cc(-c3ccccc3)ccc2F)c1O
InChIInChI=1S/C19H16FNO3S/c20-16-10-9-14(13-5-2-1-3-6-13)11-15(16)12-25(23,24)18-8-4-7-17(21)19(18)22/h1-11,22H,12,21H2
InChIKeyRHTVVJVWFIYPKB-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.75
Rot. Bonds4

About 2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol

2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol (PubChem CID 160629816) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol.

Molecular Properties

Compound Name2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
PubChem CID160629816
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
SMILESNc1cccc(S(=O)(=O)Cc2cc(-c3ccccc3)ccc2F)c1O
InChIInChI=1S/C19H16FNO3S/c20-16-10-9-14(13-5-2-1-3-6-13)11-15(16)12-25(23,24)18-8-4-7-17(21)19(18)22/h1-11,22H,12,21H2
InChIKeyRHTVVJVWFIYPKB-UHFFFAOYSA-N
XLogP3.75
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol?
The IUPAC name of 2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol (CID 160629816) is 2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol.
What is the SMILES notation for 2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol?
The canonical SMILES for 2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol is Nc1cccc(S(=O)(=O)Cc2cc(-c3ccccc3)ccc2F)c1O.
What is the InChIKey of 2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol?
The InChIKey is RHTVVJVWFIYPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c20-16-10-9-14(13-5-2-1-3-6-13)11-15(16)12-25(23,24)18-8-4-7-17(21)19(18)22/h1-11,22H,12,21H2.
What are the key properties of 2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol?
2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol has a molecular weight of 357.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol is sourced from PubChem (CID 160629816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).