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

C19H18N2O3S — CID 44525561

IUPAC[3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(CO)c3)c2)cc1
InChIInChI=1S/C19H18N2O3S/c1-25(23,24)17-7-5-14(6-8-17)16-10-18(19(20)21-11-16)15-4-2-3-13(9-15)12-22/h2-11,22H,12H2,1H3,(H2,20,21)
InChIKeyQSDBCSJTLPBPPM-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.89
Rot. Bonds4

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

[3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol (PubChem CID 44525561) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is [3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol
PubChem CID44525561
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name[3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(CO)c3)c2)cc1
InChIInChI=1S/C19H18N2O3S/c1-25(23,24)17-7-5-14(6-8-17)16-10-18(19(20)21-11-16)15-4-2-3-13(9-15)12-22/h2-11,22H,12H2,1H3,(H2,20,21)
InChIKeyQSDBCSJTLPBPPM-UHFFFAOYSA-N
XLogP2.89
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.89
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]phenyl]methanol?
The IUPAC name of [3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol (CID 44525561) is [3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(CO)c3)c2)cc1.
What is the InChIKey of [3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol?
The InChIKey is QSDBCSJTLPBPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-25(23,24)17-7-5-14(6-8-17)16-10-18(19(20)21-11-16)15-4-2-3-13(9-15)12-22/h2-11,22H,12H2,1H3,(H2,20,21).
What are the key properties of [3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol?
[3-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenyl]methanol has a molecular weight of 354.43 g/mol, XLogP of 2.89, 4 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]phenyl]methanol is sourced from PubChem (CID 44525561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).