4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

C22H20N4O4S — CID 55699972

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H20N4O4S/c27-22(23-15-17-4-8-19(9-5-17)26-13-2-12-24-26)18-6-10-21(11-7-18)31(28,29)25-16-20-3-1-14-30-20/h1-14,25H,15-16H2,(H,23,27)
InChIKeyNQGILKPFXDJTFI-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.87
Rot. Bonds8

About 4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (PubChem CID 55699972) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
PubChem CID55699972
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H20N4O4S/c27-22(23-15-17-4-8-19(9-5-17)26-13-2-12-24-26)18-6-10-21(11-7-18)31(28,29)25-16-20-3-1-14-30-20/h1-14,25H,15-16H2,(H,23,27)
InChIKeyNQGILKPFXDJTFI-UHFFFAOYSA-N
XLogP2.87
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419539
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55868652
N-[(2-ethoxy-4-pyridinyl)methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55707674
N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558217
3-(prop-2-ynylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 46468352
4-(furan-2-ylmethylsulfamoyl)-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 51134591
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (CID 55699972) is 4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is O=C(NCc1ccc(-n2cccn2)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The InChIKey is NQGILKPFXDJTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c27-22(23-15-17-4-8-19(9-5-17)26-13-2-12-24-26)18-6-10-21(11-7-18)31(28,29)25-16-20-3-1-14-30-20/h1-14,25H,15-16H2,(H,23,27).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55699972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).