4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one

C20H20N2O4S — CID 10430108

IUPAC4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one
SMILESCc1ccc(S(=O)(=O)n2ccc(CNCc3ccccc3)c(O)c2=O)cc1
InChIInChI=1S/C20H20N2O4S/c1-15-7-9-18(10-8-15)27(25,26)22-12-11-17(19(23)20(22)24)14-21-13-16-5-3-2-4-6-16/h2-12,21,23H,13-14H2,1H3
InChIKeyUQTMRFDIAABSHA-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.39
Rot. Bonds6

About 4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one

4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one (PubChem CID 10430108) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one.

Molecular Properties

Compound Name4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one
PubChem CID10430108
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one
SMILESCc1ccc(S(=O)(=O)n2ccc(CNCc3ccccc3)c(O)c2=O)cc1
InChIInChI=1S/C20H20N2O4S/c1-15-7-9-18(10-8-15)27(25,26)22-12-11-17(19(23)20(22)24)14-21-13-16-5-3-2-4-6-16/h2-12,21,23H,13-14H2,1H3
InChIKeyUQTMRFDIAABSHA-UHFFFAOYSA-N
XLogP2.39
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azocan-4-ylmethyl)-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one
CID 69374204
4-[[4-[(1E,3E)-1,4-diamino-4-chlorobuta-1,3-dienyl]piperazin-1-yl]methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one
CID 118137058
1-(4-chlorophenyl)sulfonyl-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
CID 67193898
4-methylbenzenesulfonic acid;methyl 2-(benzylamino)acetate
CID 175384581
N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
CID 25037551
4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
CID 139319386
2-[(benzylamino)methyl]phenol chloride
CID 53350489
[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-(2-phenylmethoxyethyl)aziridin-2-yl]methanol
CID 102469621
[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
CID 68791607
[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-yl]methanol
CID 11336503
4-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 13044879
N-benzyl-1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-amine
CID 67066703

Frequently Asked Questions

What is the IUPAC name of 4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one?
The IUPAC name of 4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one (CID 10430108) is 4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one.
What is the SMILES notation for 4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one?
The canonical SMILES for 4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one is Cc1ccc(S(=O)(=O)n2ccc(CNCc3ccccc3)c(O)c2=O)cc1.
What is the InChIKey of 4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one?
The InChIKey is UQTMRFDIAABSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-15-7-9-18(10-8-15)27(25,26)22-12-11-17(19(23)20(22)24)14-21-13-16-5-3-2-4-6-16/h2-12,21,23H,13-14H2,1H3.
What are the key properties of 4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one?
4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one has a molecular weight of 384.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzylamino)methyl]-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one is sourced from PubChem (CID 10430108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).