N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C27H27FN4O3S — CID 154994856

About N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide

N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 154994856) has the molecular formula C27H27FN4O3S and a molecular weight of 506.60 g/mol. Its IUPAC name is N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
• PubChem CID: 154994856
• Molecular Formula: C27H27FN4O3S
• Molecular Weight: 506.60 g/mol
• Exact Mass: 506.18
• IUPAC Name: N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
• SMILES: CC[C@@H]1C(NS(C)(=O)=O)C(Cc2ccccc2)C(=O)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1
• InChI: InChI=1S/C27H27FN4O3S/c1-3-24-26(30-36(2,34)35)23(15-18-7-5-4-6-8-18)27(33)31(24)22-13-14-25-19(16-22)17-29-32(25)21-11-9-20(28)10-12-21/h4-14,16-17,23-24,26,30H,3,15H2,1-2H3/t23?,24-,26?/m1/s1
• InChIKey: SWHIKCSVPFCPHV-MYIFBMMKSA-N
• XLogP: 4.07
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.60
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?

The IUPAC name of N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 154994856) is N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

What is the SMILES notation for N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?

The canonical SMILES for N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is CC[C@@H]1C(NS(C)(=O)=O)C(Cc2ccccc2)C(=O)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1.

What is the InChIKey of N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?

The InChIKey is SWHIKCSVPFCPHV-MYIFBMMKSA-N. The full InChI is InChI=1S/C27H27FN4O3S/c1-3-24-26(30-36(2,34)35)23(15-18-7-5-4-6-8-18)27(33)31(24)22-13-14-25-19(16-22)17-29-32(25)21-11-9-20(28)10-12-21/h4-14,16-17,23-24,26,30H,3,15H2,1-2H3/t23?,24-,26?/m1/s1.

What are the key properties of N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide?

N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 506.60 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-4-benzyl-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 154994856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).