N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H18N4O4S — CID 17479470

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H18N4O4S/c1-10-5-6-11(9-13(10)24(22,23)18(2)3)16-15(21)12-7-8-14(20)19(4)17-12/h5-9H,1-4H3,(H,16,21)
InChIKeySVKPXENOVKTPHZ-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.59
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 17479470) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID17479470
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H18N4O4S/c1-10-5-6-11(9-13(10)24(22,23)18(2)3)16-15(21)12-7-8-14(20)19(4)17-12/h5-9H,1-4H3,(H,16,21)
InChIKeySVKPXENOVKTPHZ-UHFFFAOYSA-N
XLogP0.59
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 17479470) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is SVKPXENOVKTPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-10-5-6-11(9-13(10)24(22,23)18(2)3)16-15(21)12-7-8-14(20)19(4)17-12/h5-9H,1-4H3,(H,16,21).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 17479470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).