ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate

C14H16N4O5S — CID 46514340

IUPACethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1cccc(C(=O)NC)c1
InChIInChI=1S/C14H16N4O5S/c1-3-23-14(20)11-8-16-17-13(11)24(21,22)18-10-6-4-5-9(7-10)12(19)15-2/h4-8,18H,3H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyRSCZMNBANMQXAA-UHFFFAOYSA-N
MW352.37 g/mol
LogP0.75
Rot. Bonds6

About ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 46514340) has the molecular formula C14H16N4O5S and a molecular weight of 352.37 g/mol. Its IUPAC name is ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID46514340
Molecular FormulaC14H16N4O5S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC Nameethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1cccc(C(=O)NC)c1
InChIInChI=1S/C14H16N4O5S/c1-3-23-14(20)11-8-16-17-13(11)24(21,22)18-10-6-4-5-9(7-10)12(19)15-2/h4-8,18H,3H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyRSCZMNBANMQXAA-UHFFFAOYSA-N
XLogP0.75
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 103775663
ethyl 5-[(2-iodophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60712737
ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 27651904
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
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ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 80708490
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 171146060
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate (CID 46514340) is ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1cccc(C(=O)NC)c1.
What is the InChIKey of ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is RSCZMNBANMQXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S/c1-3-23-14(20)11-8-16-17-13(11)24(21,22)18-10-6-4-5-9(7-10)12(19)15-2/h4-8,18H,3H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 352.37 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 46514340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).