4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol

C20H20N2O3S — CID 155521619

IUPAC4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol
SMILESCN(C)c1ncc(-c2ccc(O)cc2)cc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3
InChIKeyJUSSLCLDOMYWPZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.59
Rot. Bonds4

About 4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol

4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol (PubChem CID 155521619) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol
PubChem CID155521619
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol
SMILESCN(C)c1ncc(-c2ccc(O)cc2)cc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3
InChIKeyJUSSLCLDOMYWPZ-UHFFFAOYSA-N
XLogP3.59
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol?
The IUPAC name of 4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol (CID 155521619) is 4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol?
The canonical SMILES for 4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol is CN(C)c1ncc(-c2ccc(O)cc2)cc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol?
The InChIKey is JUSSLCLDOMYWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-22(2)20-19(15-6-10-18(11-7-15)26(3,24)25)12-16(13-21-20)14-4-8-17(23)9-5-14/h4-13,23H,1-3H3.
What are the key properties of 4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol?
4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol has a molecular weight of 368.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)-5-(4-methylsulfonylphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 155521619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).