[5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate

C14H10BrN3O5S — CID 4278662

IUPAC[5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate
SMILESNc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN3O5S/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)23-14(19)11-2-1-7-22-11/h1-8H,16H2
InChIKeyBIMPVGKWOCMVBS-UHFFFAOYSA-N
MW412.22 g/mol
LogP2.28
Rot. Bonds4

About [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate

[5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate (PubChem CID 4278662) has the molecular formula C14H10BrN3O5S and a molecular weight of 412.22 g/mol. Its IUPAC name is [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate
PubChem CID4278662
Molecular FormulaC14H10BrN3O5S
Molecular Weight412.22 g/mol
Exact Mass410.95
IUPAC Name[5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate
SMILESNc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN3O5S/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)23-14(19)11-2-1-7-22-11/h1-8H,16H2
InChIKeyBIMPVGKWOCMVBS-UHFFFAOYSA-N
XLogP2.28
TPSA117.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate?
The IUPAC name of [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate (CID 4278662) is [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate.
What is the SMILES notation for [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate?
The canonical SMILES for [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate is Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate?
The InChIKey is BIMPVGKWOCMVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O5S/c15-9-3-5-10(6-4-9)24(20,21)18-12(16)8-13(17-18)23-14(19)11-2-1-7-22-11/h1-8H,16H2.
What are the key properties of [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate?
[5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate has a molecular weight of 412.22 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] furan-2-carboxylate is sourced from PubChem (CID 4278662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).