6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid

C19H17ClN4O4S — CID 163243182

IUPAC6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid
SMILESCc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(C(=O)O)n2)nc(Cl)c1C
InChIInChI=1S/C19H17ClN4O4S/c1-10-6-4-7-11(2)15(10)16-12(3)17(20)23-19(22-16)24-29(27,28)14-9-5-8-13(21-14)18(25)26/h4-9H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyYSTHYKKVVAEXSB-UHFFFAOYSA-N
MW432.89 g/mol
LogP3.62
Rot. Bonds5

About 6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid

6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid (PubChem CID 163243182) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is 6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid
PubChem CID163243182
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Name6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid
SMILESCc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(C(=O)O)n2)nc(Cl)c1C
InChIInChI=1S/C19H17ClN4O4S/c1-10-6-4-7-11(2)15(10)16-12(3)17(20)23-19(22-16)24-29(27,28)14-9-5-8-13(21-14)18(25)26/h4-9H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyYSTHYKKVVAEXSB-UHFFFAOYSA-N
XLogP3.62
TPSA122.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[[4-chloro-5-methyl-6-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-yl]sulfamoyl]benzoate
CID 163242970
3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid
CID 163243669
3-[[4-(3-aminopropoxy)-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]benzoic acid
CID 163242967
4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 134306514
4-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid
CID 166706661
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
3-[[4-chloro-6-(2,6-dimethylphenyl)-5-ethylpyrimidin-2-yl]amino]sulfanylbenzoic acid
CID 167017322
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate
CID 163243720
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide
CID 134344518
6-[[6-(2,6-dimethylphenyl)-4-[(2R)-4-methyl-2-(spiro[2.3]hexan-5-ylamino)pentoxy]-2-pyridinyl]sulfamoyl]pyridine-2-carboxylic acid
CID 163245522
3-amino-N-[4-chloro-6-(2-methylphenyl)-5-propan-2-ylpyrimidin-2-yl]benzenesulfonamide
CID 163246934

Frequently Asked Questions

What is the IUPAC name of 6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid (CID 163243182) is 6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid is Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(C(=O)O)n2)nc(Cl)c1C.
What is the InChIKey of 6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid?
The InChIKey is YSTHYKKVVAEXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c1-10-6-4-7-11(2)15(10)16-12(3)17(20)23-19(22-16)24-29(27,28)14-9-5-8-13(21-14)18(25)26/h4-9H,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid?
6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid has a molecular weight of 432.89 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-chloro-6-(2,6-dimethylphenyl)-5-methylpyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 163243182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).