methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate

C19H18N4O6S — CID 53115536

IUPACmethyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18N4O6S/c1-28-15-9-7-14(8-10-15)23-30(26,27)18-16(11-20-22-18)17(24)21-13-5-3-12(4-6-13)19(25)29-2/h3-11,23H,1-2H3,(H,20,22)(H,21,24)
InChIKeyBSDKCONVSOTGFI-UHFFFAOYSA-N
MW430.44 g/mol
LogP2.26
Rot. Bonds7

About methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate

methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate (PubChem CID 53115536) has the molecular formula C19H18N4O6S and a molecular weight of 430.44 g/mol. Its IUPAC name is methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate
PubChem CID53115536
Molecular FormulaC19H18N4O6S
Molecular Weight430.44 g/mol
Exact Mass430.09
IUPAC Namemethyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18N4O6S/c1-28-15-9-7-14(8-10-15)23-30(26,27)18-16(11-20-22-18)17(24)21-13-5-3-12(4-6-13)19(25)29-2/h3-11,23H,1-2H3,(H,20,22)(H,21,24)
InChIKeyBSDKCONVSOTGFI-UHFFFAOYSA-N
XLogP2.26
TPSA139.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115660
N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115450
N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 171146147
N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115672
N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115664
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668
5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 53115449
5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115477
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115471

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate (CID 53115536) is methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate?
The InChIKey is BSDKCONVSOTGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6S/c1-28-15-9-7-14(8-10-15)23-30(26,27)18-16(11-20-22-18)17(24)21-13-5-3-12(4-6-13)19(25)29-2/h3-11,23H,1-2H3,(H,20,22)(H,21,24).
What are the key properties of methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate?
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate has a molecular weight of 430.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 53115536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).