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

C19H18N2O4S — CID 44525553

IUPAC4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)ccc1O
InChIInChI=1S/C19H18N2O4S/c1-25-18-10-13(5-8-17(18)22)16-9-14(11-21-19(16)20)12-3-6-15(7-4-12)26(2,23)24/h3-11,22H,1-2H3,(H2,20,21)
InChIKeyBPHUMAUSBOVDPO-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.12
Rot. Bonds4

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

4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol (PubChem CID 44525553) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol
PubChem CID44525553
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)ccc1O
InChIInChI=1S/C19H18N2O4S/c1-25-18-10-13(5-8-17(18)22)16-9-14(11-21-19(16)20)12-3-6-15(7-4-12)26(2,23)24/h3-11,22H,1-2H3,(H2,20,21)
InChIKeyBPHUMAUSBOVDPO-UHFFFAOYSA-N
XLogP3.12
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol?
The IUPAC name of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol (CID 44525553) is 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol is COc1cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)ccc1O.
What is the InChIKey of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol?
The InChIKey is BPHUMAUSBOVDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-25-18-10-13(5-8-17(18)22)16-9-14(11-21-19(16)20)12-3-6-15(7-4-12)26(2,23)24/h3-11,22H,1-2H3,(H2,20,21).
What are the key properties of 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol?
4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol has a molecular weight of 370.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenol is sourced from PubChem (CID 44525553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).