N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide

C17H20ClN5O4S — CID 3161661

IUPACN-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnn(C)c(=O)c3Cl)CC2)cc1
InChIInChI=1S/C17H20ClN5O4S/c1-12(24)20-13-3-5-14(6-4-13)28(26,27)23-9-7-22(8-10-23)15-11-19-21(2)17(25)16(15)18/h3-6,11H,7-10H2,1-2H3,(H,20,24)
InChIKeyFAHKQDDHYFDXSN-UHFFFAOYSA-N
MW425.90 g/mol
LogP0.90
Rot. Bonds4

About N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 3161661) has the molecular formula C17H20ClN5O4S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID3161661
Molecular FormulaC17H20ClN5O4S
Molecular Weight425.90 g/mol
Exact Mass425.09
IUPAC NameN-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnn(C)c(=O)c3Cl)CC2)cc1
InChIInChI=1S/C17H20ClN5O4S/c1-12(24)20-13-3-5-14(6-4-13)28(26,27)23-9-7-22(8-10-23)15-11-19-21(2)17(25)16(15)18/h3-6,11H,7-10H2,1-2H3,(H,20,24)
InChIKeyFAHKQDDHYFDXSN-UHFFFAOYSA-N
XLogP0.90
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 3161661) is N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnn(C)c(=O)c3Cl)CC2)cc1.
What is the InChIKey of N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is FAHKQDDHYFDXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O4S/c1-12(24)20-13-3-5-14(6-4-13)28(26,27)23-9-7-22(8-10-23)15-11-19-21(2)17(25)16(15)18/h3-6,11H,7-10H2,1-2H3,(H,20,24).
What are the key properties of N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 425.90 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 3161661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).