N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

C22H24N2O3S — CID 23521704

IUPACN-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1cccc(C(O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H24N2O3S/c1-3-28(26,27)24(16-18-6-5-13-23-15-18)21-8-4-7-20(14-21)22(25)19-11-9-17(2)10-12-19/h4-15,22,25H,3,16H2,1-2H3
InChIKeyZBOJOVQLNIUIQY-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.83
Rot. Bonds7

About N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 23521704) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID23521704
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1cccc(C(O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H24N2O3S/c1-3-28(26,27)24(16-18-6-5-13-23-15-18)21-8-4-7-20(14-21)22(25)19-11-9-17(2)10-12-19/h4-15,22,25H,3,16H2,1-2H3
InChIKeyZBOJOVQLNIUIQY-UHFFFAOYSA-N
XLogP3.83
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 91055403
N-[3-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521708
N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360388
N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360869
N-(3-chlorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360985
N-[3-(dimethylamino)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 90872302
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol
CID 71988626
3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360476
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399

Frequently Asked Questions

What is the IUPAC name of N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 23521704) is N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is CCS(=O)(=O)N(Cc1cccnc1)c1cccc(C(O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is ZBOJOVQLNIUIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-3-28(26,27)24(16-18-6-5-13-23-15-18)21-8-4-7-20(14-21)22(25)19-11-9-17(2)10-12-19/h4-15,22,25H,3,16H2,1-2H3.
What are the key properties of N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 23521704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).