methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate

C18H19N3O6S — CID 122266198

IUPACmethyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(S(=O)(=O)NCC(c2ccco2)n2cccn2)c1
InChIInChI=1S/C18H19N3O6S/c1-25-16-7-6-13(18(22)26-2)11-17(16)28(23,24)20-12-14(15-5-3-10-27-15)21-9-4-8-19-21/h3-11,14,20H,12H2,1-2H3
InChIKeyCWWXPIYMSDLTID-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.84
Rot. Bonds8

About methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate

methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate (PubChem CID 122266198) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate
PubChem CID122266198
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Namemethyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(S(=O)(=O)NCC(c2ccco2)n2cccn2)c1
InChIInChI=1S/C18H19N3O6S/c1-25-16-7-6-13(18(22)26-2)11-17(16)28(23,24)20-12-14(15-5-3-10-27-15)21-9-4-8-19-21/h3-11,14,20H,12H2,1-2H3
InChIKeyCWWXPIYMSDLTID-UHFFFAOYSA-N
XLogP1.84
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate with MolForge

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Related Compounds

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 122266139
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide
CID 122266153
3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide
CID 122266105
1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 122266298
5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265269
1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide
CID 122266102
5-ethyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]thiophene-2-sulfonamide
CID 122266119
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 122266192
5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 122161506
methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate
CID 47019084
5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 39445497
2-ethoxy-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265940

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate?
The IUPAC name of methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate (CID 122266198) is methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate.
What is the SMILES notation for methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate?
The canonical SMILES for methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate is COC(=O)c1ccc(OC)c(S(=O)(=O)NCC(c2ccco2)n2cccn2)c1.
What is the InChIKey of methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate?
The InChIKey is CWWXPIYMSDLTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-25-16-7-6-13(18(22)26-2)11-17(16)28(23,24)20-12-14(15-5-3-10-27-15)21-9-4-8-19-21/h3-11,14,20H,12H2,1-2H3.
What are the key properties of methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate?
methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate has a molecular weight of 405.43 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate is sourced from PubChem (CID 122266198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).