1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide

C20H20N4O4S — CID 8015664

IUPAC1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(=O)n(C)n3)c2)c1
InChIInChI=1S/C20H20N4O4S/c1-13-5-4-6-15(11-13)23-29(27,28)16-8-7-14(2)18(12-16)21-20(26)17-9-10-19(25)24(3)22-17/h4-12,23H,1-3H3,(H,21,26)
InChIKeyHXNZJVSMIGWQRG-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.45
Rot. Bonds5

About 1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 8015664) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID8015664
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(=O)n(C)n3)c2)c1
InChIInChI=1S/C20H20N4O4S/c1-13-5-4-6-15(11-13)23-29(27,28)16-8-7-14(2)18(12-16)21-20(26)17-9-10-19(25)24(3)22-17/h4-12,23H,1-3H3,(H,21,26)
InChIKeyHXNZJVSMIGWQRG-UHFFFAOYSA-N
XLogP2.45
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 18775433
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55349074
N-[5-(diethylsulfamoyl)-2-(3-methylphenoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 30788927
3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 26950297
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 121067088
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 24588305
1-[3-(5-chloro-2-methylanilino)-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066085
5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 43172077
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-fluoro-5-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 60532585
N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
CID 109061685
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide (CID 8015664) is 1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(=O)n(C)n3)c2)c1.
What is the InChIKey of 1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is HXNZJVSMIGWQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-13-5-4-6-15(11-13)23-29(27,28)16-8-7-14(2)18(12-16)21-20(26)17-9-10-19(25)24(3)22-17/h4-12,23H,1-3H3,(H,21,26).
What are the key properties of 1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8015664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).