ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate

C18H17N3O4S — CID 3653248

IUPACethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17N3O4S/c1-2-25-18(22)16-13-19-21(14-9-5-3-6-10-14)17(16)20-26(23,24)15-11-7-4-8-12-15/h3-13,20H,2H2,1H3
InChIKeyZAYZONNPVIEISP-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.85
Rot. Bonds6

About ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate

ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate (PubChem CID 3653248) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate
PubChem CID3653248
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Nameethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17N3O4S/c1-2-25-18(22)16-13-19-21(14-9-5-3-6-10-14)17(16)20-26(23,24)15-11-7-4-8-12-15/h3-13,20H,2H2,1H3
InChIKeyZAYZONNPVIEISP-UHFFFAOYSA-N
XLogP2.85
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
CID 85270
Methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
CID 4191879
Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
CID 703785
ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
CID 688689
Ethyl 5-[bis[(4-nitrophenyl)sulfonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 155520406
5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57398165
5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide
CID 57401587
N-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57401570
6-Methyl-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
CID 274160
Ethyl 5-amino-1-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxylate
CID 12517949
Ethyl 1-phenyl-5-(phenylcarbamoylamino)pyrazole-4-carboxylate
CID 2815917
ethyl 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylate
CID 4366863

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate (CID 3653248) is ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate?
The InChIKey is ZAYZONNPVIEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-2-25-18(22)16-13-19-21(14-9-5-3-6-10-14)17(16)20-26(23,24)15-11-7-4-8-12-15/h3-13,20H,2H2,1H3.
What are the key properties of ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate?
ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzenesulfonamido)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 3653248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).