1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide

C23H20N6O4S — CID 121067015

IUPAC1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)cc2)n1
InChIInChI=1S/C23H20N6O4S/c1-16-13-14-24-23(25-16)28-34(32,33)19-9-7-18(8-10-19)26-22(31)20-11-12-21(30)29(27-20)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,31)(H,24,25,28)
InChIKeyYOXNNJRSHJIUIF-UHFFFAOYSA-N
MW476.52 g/mol
LogP2.44
Rot. Bonds7

About 1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 121067015) has the molecular formula C23H20N6O4S and a molecular weight of 476.52 g/mol. Its IUPAC name is 1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID121067015
Molecular FormulaC23H20N6O4S
Molecular Weight476.52 g/mol
Exact Mass476.13
IUPAC Name1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)cc2)n1
InChIInChI=1S/C23H20N6O4S/c1-16-13-14-24-23(25-16)28-34(32,33)19-9-7-18(8-10-19)26-22(31)20-11-12-21(30)29(27-20)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,31)(H,24,25,28)
InChIKeyYOXNNJRSHJIUIF-UHFFFAOYSA-N
XLogP2.44
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide
CID 71791757
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 16804909
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38004597
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778513
4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 99943631
ethyl 1-benzyl-3,5-dimethyl-4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]pyrrole-2-carboxylate
CID 43954612
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027985
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147450
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 25043654
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
CID 1273275

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide (CID 121067015) is 1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)cc2)n1.
What is the InChIKey of 1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is YOXNNJRSHJIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4S/c1-16-13-14-24-23(25-16)28-34(32,33)19-9-7-18(8-10-19)26-22(31)20-11-12-21(30)29(27-20)15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,31)(H,24,25,28).
What are the key properties of 1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 121067015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).