4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid

C26H21NO5S — CID 126480756

IUPAC4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O
InChIInChI=1S/C26H21NO5S/c28-25-17-22(13-16-24(25)26(29)30)27(18-19-7-3-1-4-8-19)33(31,32)23-14-11-21(12-15-23)20-9-5-2-6-10-20/h1-17,28H,18H2,(H,29,30)
InChIKeyFUSYUJVUSOWKKS-UHFFFAOYSA-N
MW459.52 g/mol
LogP5.15
Rot. Bonds7

About 4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid

4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 126480756) has the molecular formula C26H21NO5S and a molecular weight of 459.52 g/mol. Its IUPAC name is 4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID126480756
Molecular FormulaC26H21NO5S
Molecular Weight459.52 g/mol
Exact Mass459.11
IUPAC Name4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O
InChIInChI=1S/C26H21NO5S/c28-25-17-22(13-16-24(25)26(29)30)27(18-19-7-3-1-4-8-19)33(31,32)23-14-11-21(12-15-23)20-9-5-2-6-10-20/h1-17,28H,18H2,(H,29,30)
InChIKeyFUSYUJVUSOWKKS-UHFFFAOYSA-N
XLogP5.15
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.52
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid (CID 126480756) is 4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O.
What is the InChIKey of 4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is FUSYUJVUSOWKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO5S/c28-25-17-22(13-16-24(25)26(29)30)27(18-19-7-3-1-4-8-19)33(31,32)23-14-11-21(12-15-23)20-9-5-2-6-10-20/h1-17,28H,18H2,(H,29,30).
What are the key properties of 4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid?
4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 459.52 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 126480756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).