5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid

C20H18N2O6S — CID 58067668

IUPAC5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid
SMILESCS(=O)(=O)Nc1cccc(-c2ccccc2Cn2cc(O)c(=O)c(C(=O)O)c2)c1
InChIInChI=1S/C20H18N2O6S/c1-29(27,28)21-15-7-4-6-13(9-15)16-8-3-2-5-14(16)10-22-11-17(20(25)26)19(24)18(23)12-22/h2-9,11-12,21,23H,10H2,1H3,(H,25,26)
InChIKeyHVOZVXRTZOYRLS-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.34
Rot. Bonds6

About 5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid

5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 58067668) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is 5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid
PubChem CID58067668
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Name5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid
SMILESCS(=O)(=O)Nc1cccc(-c2ccccc2Cn2cc(O)c(=O)c(C(=O)O)c2)c1
InChIInChI=1S/C20H18N2O6S/c1-29(27,28)21-15-7-4-6-13(9-15)16-8-3-2-5-14(16)10-22-11-17(20(25)26)19(24)18(23)12-22/h2-9,11-12,21,23H,10H2,1H3,(H,25,26)
InChIKeyHVOZVXRTZOYRLS-UHFFFAOYSA-N
XLogP2.34
TPSA125.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
CID 58067690
N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide
CID 58067547
3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid
CID 53224449
N-ethyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide;N-ethyl-5-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide;ethyl 5-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxylate;ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate;5-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 159648699
5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 58067638
1-[[3-(methanesulfonamido)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174519620
6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
CID 53229646
N-[3-(2-hydroxy-3-nitrophenyl)phenyl]methanesulfonamide
CID 69009901
methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
CID 68527353
methyl 2-hydroxy-4-[[3-[2-(hydroxymethyl)phenyl]phenyl]sulfonylamino]benzoate
CID 71611200
1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid
CID 12624227
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide
CID 24610626

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid (CID 58067668) is 5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid is CS(=O)(=O)Nc1cccc(-c2ccccc2Cn2cc(O)c(=O)c(C(=O)O)c2)c1.
What is the InChIKey of 5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is HVOZVXRTZOYRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c1-29(27,28)21-15-7-4-6-13(9-15)16-8-3-2-5-14(16)10-22-11-17(20(25)26)19(24)18(23)12-22/h2-9,11-12,21,23H,10H2,1H3,(H,25,26).
What are the key properties of 5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 414.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).