2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol

C22H24N2O3S — CID 58378908

IUPAC2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol
SMILESCNC(CO)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(C)cn3)cc2)c1
InChIInChI=1S/C22H24N2O3S/c1-16-6-11-21(24-13-16)18-7-9-20(10-8-18)28(26,27)15-17-4-3-5-19(12-17)22(14-25)23-2/h3-13,22-23,25H,14-15H2,1-2H3
InChIKeyVUFJJKVYYPEUIY-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.28
Rot. Bonds7

About 2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol

2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol (PubChem CID 58378908) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol.

Molecular Properties

Compound Name2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol
PubChem CID58378908
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol
SMILESCNC(CO)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(C)cn3)cc2)c1
InChIInChI=1S/C22H24N2O3S/c1-16-6-11-21(24-13-16)18-7-9-20(10-8-18)28(26,27)15-17-4-3-5-19(12-17)22(14-25)23-2/h3-13,22-23,25H,14-15H2,1-2H3
InChIKeyVUFJJKVYYPEUIY-UHFFFAOYSA-N
XLogP3.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol?
The IUPAC name of 2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol (CID 58378908) is 2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol.
What is the SMILES notation for 2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol?
The canonical SMILES for 2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol is CNC(CO)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(C)cn3)cc2)c1.
What is the InChIKey of 2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol?
The InChIKey is VUFJJKVYYPEUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-16-6-11-21(24-13-16)18-7-9-20(10-8-18)28(26,27)15-17-4-3-5-19(12-17)22(14-25)23-2/h3-13,22-23,25H,14-15H2,1-2H3.
What are the key properties of 2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol?
2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol has a molecular weight of 396.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-[3-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylmethyl]phenyl]ethanol is sourced from PubChem (CID 58378908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).