N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide

C22H21N3O4S — CID 97071270

About N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide

N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide (PubChem CID 97071270) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
• PubChem CID: 97071270
• Molecular Formula: C22H21N3O4S
• Molecular Weight: 423.49 g/mol
• Exact Mass: 423.13
• IUPAC Name: N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
• SMILES: CC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccc(C)o1
• InChI: InChI=1S/C22H21N3O4S/c1-15-11-12-22(29-15)21-14-20(23-25(21)16(2)26)17-7-6-8-18(13-17)24-30(27,28)19-9-4-3-5-10-19/h3-13,21,24H,14H2,1-2H3/t21-/m1/s1
• InChIKey: YCFIPGRMVJFEAY-OAQYLSRUSA-N
• XLogP: 4.09
• TPSA: 91.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.49
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide?

The IUPAC name of N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide (CID 97071270) is N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide.

What is the SMILES notation for N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide?

The canonical SMILES for N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide is CC(=O)N1N=C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccc(C)o1.

What is the InChIKey of N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide?

The InChIKey is YCFIPGRMVJFEAY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-15-11-12-22(29-15)21-14-20(23-25(21)16(2)26)17-7-6-8-18(13-17)24-30(27,28)19-9-4-3-5-10-19/h3-13,21,24H,14H2,1-2H3/t21-/m1/s1.

What are the key properties of N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide?

N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide has a molecular weight of 423.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3R)-2-acetyl-3-(5-methylfuran-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 97071270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).