methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate

C18H17N3O4S — CID 138994557

IUPACmethyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-13-12-17(21(19-13)15-6-4-3-5-7-15)20-26(23,24)16-10-8-14(9-11-16)18(22)25-2/h3-12,20H,1-2H3
InChIKeyLIPHKCFWPILMLP-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.77
Rot. Bonds5

About methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate

methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate (PubChem CID 138994557) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
PubChem CID138994557
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Namemethyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-13-12-17(21(19-13)15-6-4-3-5-7-15)20-26(23,24)16-10-8-14(9-11-16)18(22)25-2/h3-12,20H,1-2H3
InChIKeyLIPHKCFWPILMLP-UHFFFAOYSA-N
XLogP2.77
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 167852846
methyl 2-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]pyridine-3-carboxylate
CID 139009903
dimethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzene-1,3-dicarboxylate
CID 138994558
ethyl 4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994554
methyl 3-[[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994607
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
CID 11145237
methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 167870345
3-bromo-4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
CID 139010719
N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
CID 43069485
1-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 155945046
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 108783886
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872728

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate (CID 138994557) is methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cc1.
What is the InChIKey of methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
The InChIKey is LIPHKCFWPILMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-13-12-17(21(19-13)15-6-4-3-5-7-15)20-26(23,24)16-10-8-14(9-11-16)18(22)25-2/h3-12,20H,1-2H3.
What are the key properties of methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate has a molecular weight of 371.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate is sourced from PubChem (CID 138994557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).