2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide

C21H20ClN3O4S — CID 53161442

IUPAC2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C21H20ClN3O4S/c1-15-10-11-19(24-30(28,29)18-8-3-2-4-9-18)21(27)25(15)14-20(26)23-13-16-6-5-7-17(22)12-16/h2-12,24H,13-14H2,1H3,(H,23,26)
InChIKeyYPPDJEHFCNIHAL-UHFFFAOYSA-N
MW445.93 g/mol
LogP2.93
Rot. Bonds7

About 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide

2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 53161442) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID53161442
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C21H20ClN3O4S/c1-15-10-11-19(24-30(28,29)18-8-3-2-4-9-18)21(27)25(15)14-20(26)23-13-16-6-5-7-17(22)12-16/h2-12,24H,13-14H2,1H3,(H,23,26)
InChIKeyYPPDJEHFCNIHAL-UHFFFAOYSA-N
XLogP2.93
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide (CID 53161442) is 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide is Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is YPPDJEHFCNIHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c1-15-10-11-19(24-30(28,29)18-8-3-2-4-9-18)21(27)25(15)14-20(26)23-13-16-6-5-7-17(22)12-16/h2-12,24H,13-14H2,1H3,(H,23,26).
What are the key properties of 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 445.93 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 53161442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).