5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide

C22H19N3O4S — CID 46468496

IUPAC5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C22H19N3O4S/c26-22(23-15-17-7-9-18(10-8-17)25-14-4-13-24-25)21-12-11-19(29-21)16-30(27,28)20-5-2-1-3-6-20/h1-14H,15-16H2,(H,23,26)
InChIKeyMMXWKTGMDFQXLL-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.37
Rot. Bonds7

About 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide (PubChem CID 46468496) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
PubChem CID46468496
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C22H19N3O4S/c26-22(23-15-17-7-9-18(10-8-17)25-14-4-13-24-25)21-12-11-19(29-21)16-30(27,28)20-5-2-1-3-6-20/h1-14H,15-16H2,(H,23,26)
InChIKeyMMXWKTGMDFQXLL-UHFFFAOYSA-N
XLogP3.37
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide (CID 46468496) is 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(-n2cccn2)cc1)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
The InChIKey is MMXWKTGMDFQXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c26-22(23-15-17-7-9-18(10-8-17)25-14-4-13-24-25)21-12-11-19(29-21)16-30(27,28)20-5-2-1-3-6-20/h1-14H,15-16H2,(H,23,26).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46468496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).