N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide

C16H13N5O4S — CID 53494713

IUPACN-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cnc(-c3cccnn3)[nH]c2=O)cc1
InChIInChI=1S/C16H13N5O4S/c1-10-4-6-11(7-5-10)26(24,25)21-16(23)12-9-17-14(19-15(12)22)13-3-2-8-18-20-13/h2-9H,1H3,(H,21,23)(H,17,19,22)
InChIKeyCKXPUPPPDXLMRE-UHFFFAOYSA-N
MW371.38 g/mol
LogP0.65
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide

N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 53494713) has the molecular formula C16H13N5O4S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID53494713
Molecular FormulaC16H13N5O4S
Molecular Weight371.38 g/mol
Exact Mass371.07
IUPAC NameN-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cnc(-c3cccnn3)[nH]c2=O)cc1
InChIInChI=1S/C16H13N5O4S/c1-10-4-6-11(7-5-10)26(24,25)21-16(23)12-9-17-14(19-15(12)22)13-3-2-8-18-20-13/h2-9H,1H3,(H,21,23)(H,17,19,22)
InChIKeyCKXPUPPPDXLMRE-UHFFFAOYSA-N
XLogP0.65
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

sodium;methyl 6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxylate;N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide;6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxylic acid;hydroxide
CID 159877216
[3-[[(6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carbonyl)amino]methyl]phenyl]phosphonic acid
CID 71548554
ethoxy-[(R)-[(6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carbonyl)amino]-phenylmethyl]phosphinic acid
CID 71547334
hydroxy-[4-[(4-methoxyphenyl)-[(6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carbonyl)amino]methyl]phenyl]-oxophosphanium
CID 71537024
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
3-amino-2-[(2-amino-1-carboxyethyl)-[4-[(4-methoxyphenyl)-[(6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carbonyl)amino]methyl]phenyl]phosphoryl]propanoic acid
CID 135360246
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
CID 132940994
(4-methylphenyl)sulfonylurea;urea
CID 160676948
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide
CID 146170024
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(2,4-dimethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648606

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide (CID 53494713) is N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2cnc(-c3cccnn3)[nH]c2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is CKXPUPPPDXLMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O4S/c1-10-4-6-11(7-5-10)26(24,25)21-16(23)12-9-17-14(19-15(12)22)13-3-2-8-18-20-13/h2-9H,1H3,(H,21,23)(H,17,19,22).
What are the key properties of N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide?
N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 53494713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).