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

C19H17ClN4O4S — CID 163243720

IUPACmethyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(S(=O)(=O)Nc2nc(Cl)cc(-c3c(C)cccc3C)n2)c1
InChIInChI=1S/C19H17ClN4O4S/c1-11-5-4-6-12(2)17(11)14-10-15(20)23-19(22-14)24-29(26,27)16-9-13(7-8-21-16)18(25)28-3/h4-10H,1-3H3,(H,22,23,24)
InChIKeyMYISCHHNZKAWOX-UHFFFAOYSA-N
MW432.89 g/mol
LogP3.40
Rot. Bonds5

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

methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate (PubChem CID 163243720) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate
PubChem CID163243720
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Namemethyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(S(=O)(=O)Nc2nc(Cl)cc(-c3c(C)cccc3C)n2)c1
InChIInChI=1S/C19H17ClN4O4S/c1-11-5-4-6-12(2)17(11)14-10-15(20)23-19(22-14)24-29(26,27)16-9-13(7-8-21-16)18(25)28-3/h4-10H,1-3H3,(H,22,23,24)
InChIKeyMYISCHHNZKAWOX-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate
CID 163242879
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
methyl 3-[[4-chloro-6-[2-methyl-6-(phenylmethoxymethyl)phenyl]pyrimidin-2-yl]sulfamoyl]benzoate
CID 163243902
3-[2-(benzenesulfonamido)-6-(2,6-dimethylphenyl)pyrimidin-4-yl]oxy-4-chlorobenzoic acid
CID 163248006
1-amino-N-[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]-3-methyliminoprop-1-ene-2-sulfonamide
CID 174000989
methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
CID 131839676
methyl 3-[[4-chloro-5-methyl-6-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-yl]sulfamoyl]benzoate
CID 163242970
N-[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]-3-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzenesulfonamide
CID 163246102
(3-carboxyphenyl)-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]amino]-dihydroxyazanium;propane
CID 176971141
methyl 3-[[4-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]amino]sulfanylbenzoate
CID 163242642
2-[[4-chloro-6-(2-methylphenyl)pyrimidin-2-yl]sulfamoyl]benzoic acid
CID 169224377
tert-butyl N-[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamate;3-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]benzoic acid;3-[[4-(2,6-dimethylphenyl)-6-[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]pyrimidin-2-yl]sulfamoyl]benzoic acid
CID 167536366

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate (CID 163243720) is methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate is COC(=O)c1ccnc(S(=O)(=O)Nc2nc(Cl)cc(-c3c(C)cccc3C)n2)c1.
What is the InChIKey of methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate?
The InChIKey is MYISCHHNZKAWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c1-11-5-4-6-12(2)17(11)14-10-15(20)23-19(22-14)24-29(26,27)16-9-13(7-8-21-16)18(25)28-3/h4-10H,1-3H3,(H,22,23,24).
What are the key properties of methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate?
methyl 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-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 2-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-4-carboxylate is sourced from PubChem (CID 163243720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).