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

C19H19N3O4S — CID 167852846

IUPACmethyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C19H19N3O4S/c1-13-9-10-15(19(23)26-3)12-17(13)27(24,25)21-18-11-14(2)20-22(18)16-7-5-4-6-8-16/h4-12,21H,1-3H3
InChIKeyKRBWNOOVMCGFRL-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.08
Rot. Bonds5

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

methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate (PubChem CID 167852846) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
PubChem CID167852846
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Namemethyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)c1
InChIInChI=1S/C19H19N3O4S/c1-13-9-10-15(19(23)26-3)12-17(13)27(24,25)21-18-11-14(2)20-22(18)16-7-5-4-6-8-16/h4-12,21H,1-3H3
InChIKeyKRBWNOOVMCGFRL-UHFFFAOYSA-N
XLogP3.08
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 138994557
methyl 2,6-dimethoxy-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 167870345
methyl 2-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]pyridine-3-carboxylate
CID 139009903
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
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
methyl 4-methyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 99600303
methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate
CID 35540100
3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid
CID 24502065
methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507362
methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35506738

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate (CID 167852846) is methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate is COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)c1.
What is the InChIKey of methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
The InChIKey is KRBWNOOVMCGFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-9-10-15(19(23)26-3)12-17(13)27(24,25)21-18-11-14(2)20-22(18)16-7-5-4-6-8-16/h4-12,21H,1-3H3.
What are the key properties of methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate?
methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate has a molecular weight of 385.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate is sourced from PubChem (CID 167852846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).