methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate

C12H14N4O4S — CID 102931590

IUPACmethyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(N)cc1S(=O)(=O)Nc1[nH]ncc1C
InChIInChI=1S/C12H14N4O4S/c1-7-6-14-15-11(7)16-21(18,19)10-5-8(13)3-4-9(10)12(17)20-2/h3-6H,13H2,1-2H3,(H2,14,15,16)
InChIKeyNRMVAENPHYQNSW-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.89
Rot. Bonds4

About methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate

methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate (PubChem CID 102931590) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
PubChem CID102931590
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Namemethyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(N)cc1S(=O)(=O)Nc1[nH]ncc1C
InChIInChI=1S/C12H14N4O4S/c1-7-6-14-15-11(7)16-21(18,19)10-5-8(13)3-4-9(10)12(17)20-2/h3-6H,13H2,1-2H3,(H2,14,15,16)
InChIKeyNRMVAENPHYQNSW-UHFFFAOYSA-N
XLogP0.89
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate with MolForge

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Related Compounds

5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
5-amino-2-fluoro-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617116
methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 115631180
methyl 4-amino-2-(3,3-dimethylbutan-2-ylsulfamoyl)benzoate
CID 102931597
3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide
CID 104617145
methyl 4-amino-2-(pyridin-2-ylsulfamoyl)benzoate
CID 102930757
2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433424
methyl 4-amino-2-(thiatriazol-5-ylsulfamoyl)benzoate
CID 102931797
methyl 4-amino-2-(2-methylpropylsulfamoyl)benzoate
CID 102930746
methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate
CID 102930876
2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433428
2,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631172

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate (CID 102931590) is methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate is COC(=O)c1ccc(N)cc1S(=O)(=O)Nc1[nH]ncc1C.
What is the InChIKey of methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate?
The InChIKey is NRMVAENPHYQNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-7-6-14-15-11(7)16-21(18,19)10-5-8(13)3-4-9(10)12(17)20-2/h3-6H,13H2,1-2H3,(H2,14,15,16).
What are the key properties of methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate?
methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate has a molecular weight of 310.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate is sourced from PubChem (CID 102931590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).