2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide

C21H21ClN4O4S — CID 162727152

IUPAC2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)cc2=O)cc1S(=O)(=O)CCCc1ccccn1
InChIInChI=1S/C21H21ClN4O4S/c1-15-7-8-18(25-20(27)14-26-21(28)11-16(22)13-24-26)12-19(15)31(29,30)10-4-6-17-5-2-3-9-23-17/h2-3,5,7-9,11-13H,4,6,10,14H2,1H3,(H,25,27)
InChIKeyRBSDBCODMWQESV-UHFFFAOYSA-N
MW460.94 g/mol
LogP2.65
Rot. Bonds8

About 2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide

2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide (PubChem CID 162727152) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide
PubChem CID162727152
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC Name2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2ncc(Cl)cc2=O)cc1S(=O)(=O)CCCc1ccccn1
InChIInChI=1S/C21H21ClN4O4S/c1-15-7-8-18(25-20(27)14-26-21(28)11-16(22)13-24-26)12-19(15)31(29,30)10-4-6-17-5-2-3-9-23-17/h2-3,5,7-9,11-13H,4,6,10,14H2,1H3,(H,25,27)
InChIKeyRBSDBCODMWQESV-UHFFFAOYSA-N
XLogP2.65
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727449
2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727394
2-(4-chloro-5-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-methyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]acetamide
CID 162727733
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
CID 60599784
2-[5-(aminomethyl)-4-chloro-6-oxopyridazin-1-yl]-N-[3-(2-pyridin-2-ylethylsulfamoyl)-4-(trifluoromethyl)phenyl]acetamide
CID 162727195
(2S)-2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(2R)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl]sulfamoyl]phenyl]propanamide
CID 162727987
2-[3-(2-methyl-5-nitrophenyl)sulfonylpropyl]pyridine
CID 162727354
2-(5-chloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 155804497
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9492234
N-[3-[(5-chloro-2-pyridinyl)methylsulfamoyl]-4-methylphenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 162728053
N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
CID 161086705
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide
CID 60599848

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide (CID 162727152) is 2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide is Cc1ccc(NC(=O)Cn2ncc(Cl)cc2=O)cc1S(=O)(=O)CCCc1ccccn1.
What is the InChIKey of 2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide?
The InChIKey is RBSDBCODMWQESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c1-15-7-8-18(25-20(27)14-26-21(28)11-16(22)13-24-26)12-19(15)31(29,30)10-4-6-17-5-2-3-9-23-17/h2-3,5,7-9,11-13H,4,6,10,14H2,1H3,(H,25,27).
What are the key properties of 2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide?
2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide has a molecular weight of 460.94 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(3-pyridin-2-ylpropylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 162727152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).