N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide

C25H19ClN2O5S — CID 58067547

IUPACN-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(Cl)c1)c1cn(Cc2ccccc2-c2ccccc2)cc(O)c1=O
InChIInChI=1S/C25H19ClN2O5S/c26-19-10-6-11-20(13-19)34(32,33)27-25(31)22-15-28(16-23(29)24(22)30)14-18-9-4-5-12-21(18)17-7-2-1-3-8-17/h1-13,15-16,29H,14H2,(H,27,31)
InChIKeyPEFDCTPGMPRMJX-UHFFFAOYSA-N
MW494.96 g/mol
LogP4.04
Rot. Bonds6

About N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide

N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 58067547) has the molecular formula C25H19ClN2O5S and a molecular weight of 494.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide
PubChem CID58067547
Molecular FormulaC25H19ClN2O5S
Molecular Weight494.96 g/mol
Exact Mass494.07
IUPAC NameN-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(Cl)c1)c1cn(Cc2ccccc2-c2ccccc2)cc(O)c1=O
InChIInChI=1S/C25H19ClN2O5S/c26-19-10-6-11-20(13-19)34(32,33)27-25(31)22-15-28(16-23(29)24(22)30)14-18-9-4-5-12-21(18)17-7-2-1-3-8-17/h1-13,15-16,29H,14H2,(H,27,31)
InChIKeyPEFDCTPGMPRMJX-UHFFFAOYSA-N
XLogP4.04
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.96
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid
CID 58067668
5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
CID 58067690
3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
(3-chlorophenyl)sulfonylurea
CID 117060605
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
4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-(3-nitrophenyl)sulfonyl-2-phenylsulfanylbenzamide
CID 46842674
4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrole-3-carboxylic acid
CID 14739396
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
methyl 2-hydroxy-4-[[3-[2-(hydroxymethyl)phenyl]phenyl]sulfonylamino]benzoate
CID 71611200
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide (CID 58067547) is N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide is O=C(NS(=O)(=O)c1cccc(Cl)c1)c1cn(Cc2ccccc2-c2ccccc2)cc(O)c1=O.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is PEFDCTPGMPRMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O5S/c26-19-10-6-11-20(13-19)34(32,33)27-25(31)22-15-28(16-23(29)24(22)30)14-18-9-4-5-12-21(18)17-7-2-1-3-8-17/h1-13,15-16,29H,14H2,(H,27,31).
What are the key properties of N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide?
N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 494.96 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58067547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).