ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate

C19H18ClN3O4S — CID 19355339

IUPACethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H18ClN3O4S/c1-2-27-18(24)12-23-11-17(13-3-7-15(20)8-4-13)19(22-23)14-5-9-16(10-6-14)28(21,25)26/h3-11H,2,12H2,1H3,(H2,21,25,26)
InChIKeyMPLBASYXJCWNPV-UHFFFAOYSA-N
MW419.89 g/mol
LogP3.08
Rot. Bonds6

About ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate

ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate (PubChem CID 19355339) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
PubChem CID19355339
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC Nameethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H18ClN3O4S/c1-2-27-18(24)12-23-11-17(13-3-7-15(20)8-4-13)19(22-23)14-5-9-16(10-6-14)28(21,25)26/h3-11H,2,12H2,1H3,(H2,21,25,26)
InChIKeyMPLBASYXJCWNPV-UHFFFAOYSA-N
XLogP3.08
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate (CID 19355339) is ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate is CCOC(=O)Cn1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate?
The InChIKey is MPLBASYXJCWNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-2-27-18(24)12-23-11-17(13-3-7-15(20)8-4-13)19(22-23)14-5-9-16(10-6-14)28(21,25)26/h3-11H,2,12H2,1H3,(H2,21,25,26).
What are the key properties of ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate?
ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate has a molecular weight of 419.89 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 19355339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).