3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol

C18H16N2O3S — CID 44525557

IUPAC3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(O)c3)c2)cc1
InChIInChI=1S/C18H16N2O3S/c1-24(22,23)16-7-5-12(6-8-16)14-10-17(18(19)20-11-14)13-3-2-4-15(21)9-13/h2-11,21H,1H3,(H2,19,20)
InChIKeyUDWXFSPADQHCNB-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.11
Rot. Bonds3

About 3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol

3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol (PubChem CID 44525557) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol
PubChem CID44525557
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(O)c3)c2)cc1
InChIInChI=1S/C18H16N2O3S/c1-24(22,23)16-7-5-12(6-8-16)14-10-17(18(19)20-11-14)13-3-2-4-15(21)9-13/h2-11,21H,1H3,(H2,19,20)
InChIKeyUDWXFSPADQHCNB-UHFFFAOYSA-N
XLogP3.11
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol?
The IUPAC name of 3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol (CID 44525557) is 3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol?
The canonical SMILES for 3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(O)c3)c2)cc1.
What is the InChIKey of 3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol?
The InChIKey is UDWXFSPADQHCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-24(22,23)16-7-5-12(6-8-16)14-10-17(18(19)20-11-14)13-3-2-4-15(21)9-13/h2-11,21H,1H3,(H2,19,20).
What are the key properties of 3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol?
3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol has a molecular weight of 340.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 44525557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).