methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate

C20H21N3O6S — CID 167870345

IUPACmethyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1c(OC)ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)c1OC
InChIInChI=1S/C20H21N3O6S/c1-13-12-17(23(21-13)14-8-6-5-7-9-14)22-30(25,26)16-11-10-15(27-2)18(19(16)28-3)20(24)29-4/h5-12,22H,1-4H3
InChIKeyQAAYZFIVVLJHHK-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.79
Rot. Bonds7

About methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate

methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate (PubChem CID 167870345) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
PubChem CID167870345
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Namemethyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1c(OC)ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)c1OC
InChIInChI=1S/C20H21N3O6S/c1-13-12-17(23(21-13)14-8-6-5-7-9-14)22-30(25,26)16-11-10-15(27-2)18(19(16)28-3)20(24)29-4/h5-12,22H,1-4H3
InChIKeyQAAYZFIVVLJHHK-UHFFFAOYSA-N
XLogP2.79
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 167852846
methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 138994557
methyl 2-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]pyridine-3-carboxylate
CID 139009903
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
methyl 3-[[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994607
dimethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzene-1,3-dicarboxylate
CID 138994558
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
CID 43069485
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
1-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 155945046
(5-methyl-2-phenylpyrazol-3-yl)hydrazine
CID 55279869
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872728

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate (CID 167870345) is methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate is COC(=O)c1c(OC)ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)c1OC.
What is the InChIKey of methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
The InChIKey is QAAYZFIVVLJHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c1-13-12-17(23(21-13)14-8-6-5-7-9-14)22-30(25,26)16-11-10-15(27-2)18(19(16)28-3)20(24)29-4/h5-12,22H,1-4H3.
What are the key properties of methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate has a molecular weight of 431.47 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate is sourced from PubChem (CID 167870345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).