2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C24H23ClN6O4S — CID 10230057

IUPAC2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C24H23ClN6O4S/c1-17-7-9-21(29-36(34,35)14-18-5-3-2-4-6-18)24(33)30(17)13-23(32)27-12-19-11-20(25)8-10-22(19)31-16-26-15-28-31/h2-11,15-16,29H,12-14H2,1H3,(H,27,32)
InChIKeyMIODFTJBPUEFFS-UHFFFAOYSA-N
MW527.01 g/mol
LogP2.65
Rot. Bonds9

About 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 10230057) has the molecular formula C24H23ClN6O4S and a molecular weight of 527.01 g/mol. Its IUPAC name is 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID10230057
Molecular FormulaC24H23ClN6O4S
Molecular Weight527.01 g/mol
Exact Mass526.12
IUPAC Name2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C24H23ClN6O4S/c1-17-7-9-21(29-36(34,35)14-18-5-3-2-4-6-18)24(33)30(17)13-23(32)27-12-19-11-20(25)8-10-22(19)31-16-26-15-28-31/h2-11,15-16,29H,12-14H2,1H3,(H,27,32)
InChIKeyMIODFTJBPUEFFS-UHFFFAOYSA-N
XLogP2.65
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.01
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 10230057) is 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is MIODFTJBPUEFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O4S/c1-17-7-9-21(29-36(34,35)14-18-5-3-2-4-6-18)24(33)30(17)13-23(32)27-12-19-11-20(25)8-10-22(19)31-16-26-15-28-31/h2-11,15-16,29H,12-14H2,1H3,(H,27,32).
What are the key properties of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 527.01 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 10230057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).