methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate

C19H17ClN4O4S — CID 163242879

IUPACmethyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1S(=O)(=O)Nc1nc(Cl)cc(-c2c(C)cccc2C)n1
InChIInChI=1S/C19H17ClN4O4S/c1-11-6-4-7-12(2)16(11)13-10-15(20)23-19(22-13)24-29(26,27)14-8-5-9-21-17(14)18(25)28-3/h4-10H,1-3H3,(H,22,23,24)
InChIKeyHWHAJLSWWMODCG-UHFFFAOYSA-N
MW432.89 g/mol
LogP3.40
Rot. Bonds5

About methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate

methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate (PubChem CID 163242879) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate
PubChem CID163242879
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Namemethyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1S(=O)(=O)Nc1nc(Cl)cc(-c2c(C)cccc2C)n1
InChIInChI=1S/C19H17ClN4O4S/c1-11-6-4-7-12(2)16(11)13-10-15(20)23-19(22-13)24-29(26,27)14-8-5-9-21-17(14)18(25)28-3/h4-10H,1-3H3,(H,22,23,24)
InChIKeyHWHAJLSWWMODCG-UHFFFAOYSA-N
XLogP3.40
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate
CID 163243720
4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine;3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]benzoic acid;methyl 3-chlorosulfonylbenzoate
CID 167604830
3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid
CID 163243669
2-[[4-chloro-6-(2-methylphenyl)pyrimidin-2-yl]sulfamoyl]benzoic acid
CID 169224377
methyl 3-[[4-chloro-6-[2-methyl-6-(phenylmethoxymethyl)phenyl]pyrimidin-2-yl]sulfamoyl]benzoate
CID 163243902
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
3-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596464
1-amino-N-[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]-3-methyliminoprop-1-ene-2-sulfonamide
CID 174000989
2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599417
methyl 3-(aminosulfonimidoyl)pyridine-2-carboxylate
CID 155432044
3-[2-(benzenesulfonamido)-6-(2,6-dimethylphenyl)pyrimidin-4-yl]oxy-4-chlorobenzoic acid
CID 163248006
2-[(2-methoxycarbonyl-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 122067773

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate (CID 163242879) is methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate is COC(=O)c1ncccc1S(=O)(=O)Nc1nc(Cl)cc(-c2c(C)cccc2C)n1.
What is the InChIKey of methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate?
The InChIKey is HWHAJLSWWMODCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c1-11-6-4-7-12(2)16(11)13-10-15(20)23-19(22-13)24-29(26,27)14-8-5-9-21-17(14)18(25)28-3/h4-10H,1-3H3,(H,22,23,24).
What are the key properties of methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate?
methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate has a molecular weight of 432.89 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 163242879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).