methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate

C15H15N3O4S3 — CID 86266427

IUPACmethyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C15H15N3O4S3/c1-22-15(19)14-13(4-9-24-14)25(20,21)16-5-7-18-6-2-12(17-18)11-3-8-23-10-11/h2-4,6,8-10,16H,5,7H2,1H3
InChIKeyLDJAXRWTAROHST-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.44
Rot. Bonds7

About methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate

methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate (PubChem CID 86266427) has the molecular formula C15H15N3O4S3 and a molecular weight of 397.50 g/mol. Its IUPAC name is methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
PubChem CID86266427
Molecular FormulaC15H15N3O4S3
Molecular Weight397.50 g/mol
Exact Mass397.02
IUPAC Namemethyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C15H15N3O4S3/c1-22-15(19)14-13(4-9-24-14)25(20,21)16-5-7-18-6-2-12(17-18)11-3-8-23-10-11/h2-4,6,8-10,16H,5,7H2,1H3
InChIKeyLDJAXRWTAROHST-UHFFFAOYSA-N
XLogP2.44
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate (CID 86266427) is methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is LDJAXRWTAROHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S3/c1-22-15(19)14-13(4-9-24-14)25(20,21)16-5-7-18-6-2-12(17-18)11-3-8-23-10-11/h2-4,6,8-10,16H,5,7H2,1H3.
What are the key properties of methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-thiophen-3-ylpyrazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 86266427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).