methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate

C18H18N4O4S — CID 167871527

IUPACmethyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)Nc2ccnn2-c2cc(C)ccn2)cc1
InChIInChI=1S/C18H18N4O4S/c1-13-7-9-19-17(11-13)22-16(8-10-20-22)21-27(24,25)12-14-3-5-15(6-4-14)18(23)26-2/h3-11,21H,12H2,1-2H3
InChIKeyOVDGJYKQFZFXQQ-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.30
Rot. Bonds6

About methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate

methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate (PubChem CID 167871527) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate
PubChem CID167871527
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Namemethyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)Nc2ccnn2-c2cc(C)ccn2)cc1
InChIInChI=1S/C18H18N4O4S/c1-13-7-9-19-17(11-13)22-16(8-10-20-22)21-27(24,25)12-14-3-5-15(6-4-14)18(23)26-2/h3-11,21H,12H2,1-2H3
InChIKeyOVDGJYKQFZFXQQ-UHFFFAOYSA-N
XLogP2.30
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)sulfamoylmethyl]benzoate
CID 146150733
methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate
CID 92681454
N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 75394172
methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
CID 92683512
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725564
methyl 4-(1,3-benzodioxol-5-ylsulfamoylmethyl)benzoate
CID 92671973
4-chloro-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide;N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90286006
methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725569
methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
CID 28632724
methyl 4-[[(2R)-2-hydroxypropyl]sulfamoylmethyl]benzoate
CID 83030316
methyl 4-(1,3-benzodioxol-5-ylmethylsulfamoylmethyl)benzoate
CID 46763337

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate?
The IUPAC name of methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate (CID 167871527) is methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate?
The canonical SMILES for methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate is COC(=O)c1ccc(CS(=O)(=O)Nc2ccnn2-c2cc(C)ccn2)cc1.
What is the InChIKey of methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate?
The InChIKey is OVDGJYKQFZFXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-13-7-9-19-17(11-13)22-16(8-10-20-22)21-27(24,25)12-14-3-5-15(6-4-14)18(23)26-2/h3-11,21H,12H2,1-2H3.
What are the key properties of methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate?
methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate has a molecular weight of 386.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]sulfamoylmethyl]benzoate is sourced from PubChem (CID 167871527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).