N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide

C24H21N3O4S — CID 140623627

IUPACN-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(=O)n(C)nc2-c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O4S/c1-25-32(29,30)19-14-12-17(13-15-19)21-16-23(28)27(2)26-24(21)20-10-6-7-11-22(20)31-18-8-4-3-5-9-18/h3-16,25H,1-2H3
InChIKeyBDYQPWWJDDJYGN-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.81
Rot. Bonds6

About N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide

N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide (PubChem CID 140623627) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide
PubChem CID140623627
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(=O)n(C)nc2-c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O4S/c1-25-32(29,30)19-14-12-17(13-15-19)21-16-23(28)27(2)26-24(21)20-10-6-7-11-22(20)31-18-8-4-3-5-9-18/h3-16,25H,1-2H3
InChIKeyBDYQPWWJDDJYGN-UHFFFAOYSA-N
XLogP3.81
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
CID 140623694
5-[4-[cyclopentyl(hydroxy)methyl]phenyl]-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one
CID 140623665
methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate
CID 140623641
2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one
CID 140623630
N,N-diethyl-3-fluoro-5-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
CID 140623626
2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one
CID 90025606
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
N-cyclohexyl-N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
CID 140623655
5-(2-methoxy-4-pyridinyl)-2-methyl-6-(5-nitro-2-phenoxyphenyl)pyridazin-3-one
CID 140623706
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
tert-butyl 4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]piperidine-1-carboxylate
CID 90025783
ethane;4-(2-ethylphenoxy)-N-methylbenzenesulfonamide
CID 91006341

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide (CID 140623627) is N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cc(=O)n(C)nc2-c2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide?
The InChIKey is BDYQPWWJDDJYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-25-32(29,30)19-14-12-17(13-15-19)21-16-23(28)27(2)26-24(21)20-10-6-7-11-22(20)31-18-8-4-3-5-9-18/h3-16,25H,1-2H3.
What are the key properties of N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide?
N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide has a molecular weight of 447.52 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide is sourced from PubChem (CID 140623627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).