N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C21H21ClN4O5S — CID 3921848

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C21H21ClN4O5S/c22-17-7-6-15(14-19(17)32(29,30)25-10-12-31-13-11-25)23-21(28)18-8-9-20(27)26(24-18)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,23,28)
InChIKeyANPKXIAHDLTZBP-UHFFFAOYSA-N
MW476.94 g/mol
LogP2.48
Rot. Bonds5

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 3921848) has the molecular formula C21H21ClN4O5S and a molecular weight of 476.94 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID3921848
Molecular FormulaC21H21ClN4O5S
Molecular Weight476.94 g/mol
Exact Mass476.09
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C21H21ClN4O5S/c22-17-7-6-15(14-19(17)32(29,30)25-10-12-31-13-11-25)23-21(28)18-8-9-20(27)26(24-18)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,23,28)
InChIKeyANPKXIAHDLTZBP-UHFFFAOYSA-N
XLogP2.48
TPSA108.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.94
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 3921848) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ANPKXIAHDLTZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O5S/c22-17-7-6-15(14-19(17)32(29,30)25-10-12-31-13-11-25)23-21(28)18-8-9-20(27)26(24-18)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,23,28).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 476.94 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 3921848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).