ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

C19H15ClF3N3O4S — CID 2808383

IUPACethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C(F)(F)F
InChIInChI=1S/C19H15ClF3N3O4S/c1-2-30-18(27)16-11-24-26(17(16)19(21,22)23)14-7-5-13(6-8-14)25-31(28,29)15-9-3-12(20)4-10-15/h3-11,25H,2H2,1H3
InChIKeyHKMXAIVWUULJOI-UHFFFAOYSA-N
MW473.86 g/mol
LogP4.52
Rot. Bonds6

About ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate (PubChem CID 2808383) has the molecular formula C19H15ClF3N3O4S and a molecular weight of 473.86 g/mol. Its IUPAC name is ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
PubChem CID2808383
Molecular FormulaC19H15ClF3N3O4S
Molecular Weight473.86 g/mol
Exact Mass473.04
IUPAC Nameethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C(F)(F)F
InChIInChI=1S/C19H15ClF3N3O4S/c1-2-30-18(27)16-11-24-26(17(16)19(21,22)23)14-7-5-13(6-8-14)25-31(28,29)15-9-3-12(20)4-10-15/h3-11,25H,2H2,1H3
InChIKeyHKMXAIVWUULJOI-UHFFFAOYSA-N
XLogP4.52
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
CID 76336381
Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 2737163
1-[3-(Benzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 168285999
Ethyl 1-(2-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate
CID 26596610
Ethyl 1-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CID 4064502
Ethyl 1-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 2808382
Ethyl 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 2808381
Ethyl 1-[4-[(4-chlorobenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 17795543
ethyl 1-(4-methanesulfonylaminophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylate
CID 22288382
Ethyl 1-(4-chlorophenyl)-5-(difluoromethyl)pyrazole-4-carboxylate
CID 63235067
ethyl 1-[4-[amino-[(Z)-2-amino-2-(4-chlorophenyl)ethenyl]amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 132224405
Ethyl 5-[(4-chlorophenyl)sulfonylamino]-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 171777330

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate (CID 2808383) is ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C(F)(F)F.
What is the InChIKey of ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate?
The InChIKey is HKMXAIVWUULJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O4S/c1-2-30-18(27)16-11-24-26(17(16)19(21,22)23)14-7-5-13(6-8-14)25-31(28,29)15-9-3-12(20)4-10-15/h3-11,25H,2H2,1H3.
What are the key properties of ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate?
ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate has a molecular weight of 473.86 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 2808383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).