N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

C21H18FN3O3S2 — CID 41418321

About N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 41418321) has the molecular formula C21H18FN3O3S2 and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
• PubChem CID: 41418321
• Molecular Formula: C21H18FN3O3S2
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.08
• IUPAC Name: N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2ccc(F)cc2)C1
• InChI: InChI=1S/C21H18FN3O3S2/c1-30(27,28)24-17-6-3-2-5-16(17)18-13-19(14-8-10-15(22)11-9-14)25(23-18)21(26)20-7-4-12-29-20/h2-12,19,24H,13H2,1H3/t19-/m1/s1
• InChIKey: OKTANQWCBYVKTF-LJQANCHMSA-N
• XLogP: 4.25
• TPSA: 78.84 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	443.53
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?

The IUPAC name of N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 41418321) is N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2ccc(F)cc2)C1.

What is the InChIKey of N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?

The InChIKey is OKTANQWCBYVKTF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H18FN3O3S2/c1-30(27,28)24-17-6-3-2-5-16(17)18-13-19(14-8-10-15(22)11-9-14)25(23-18)21(26)20-7-4-12-29-20/h2-12,19,24H,13H2,1H3/t19-/m1/s1.

What are the key properties of N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?

N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 443.53 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 41418321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).