ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate

C18H16FN3O4S — CID 171777323

IUPACethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O4S/c1-2-26-18(23)16-12-20-22(14-8-4-3-5-9-14)17(16)21-27(24,25)15-10-6-7-13(19)11-15/h3-12,21H,2H2,1H3
InChIKeyMFPKYISAWLCOGN-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.99
Rot. Bonds6

About ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate

ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate (PubChem CID 171777323) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
PubChem CID171777323
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC Nameethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O4S/c1-2-26-18(23)16-12-20-22(14-8-4-3-5-9-14)17(16)21-27(24,25)15-10-6-7-13(19)11-15/h3-12,21H,2H2,1H3
InChIKeyMFPKYISAWLCOGN-UHFFFAOYSA-N
XLogP2.99
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate (CID 171777323) is ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
The InChIKey is MFPKYISAWLCOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-2-26-18(23)16-12-20-22(14-8-4-3-5-9-14)17(16)21-27(24,25)15-10-6-7-13(19)11-15/h3-12,21H,2H2,1H3.
What are the key properties of ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate?
ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-fluorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 171777323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).