methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate

C12H13N3O4S — CID 115631180

IUPACmethyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1
InChIInChI=1S/C12H13N3O4S/c1-8-7-13-14-11(8)15-20(17,18)10-5-3-9(4-6-10)12(16)19-2/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyGYNIWVFKRCRKLC-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.31
Rot. Bonds4

About methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate

methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate (PubChem CID 115631180) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
PubChem CID115631180
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Namemethyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1
InChIInChI=1S/C12H13N3O4S/c1-8-7-13-14-11(8)15-20(17,18)10-5-3-9(4-6-10)12(16)19-2/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyGYNIWVFKRCRKLC-UHFFFAOYSA-N
XLogP1.31
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate 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

4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631121
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate
CID 40687663
methyl 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]benzoate
CID 79028841
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237166
6-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 113433482
methyl 4-methyl-3-(4-methyl-1H-pyrazol-5-yl)benzoate
CID 155312908
2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 43069593
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate (CID 115631180) is methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1.
What is the InChIKey of methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate?
The InChIKey is GYNIWVFKRCRKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8-7-13-14-11(8)15-20(17,18)10-5-3-9(4-6-10)12(16)19-2/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate?
methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate has a molecular weight of 295.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate is sourced from PubChem (CID 115631180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).