5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide

C24H25FN2O2S — CID 25037407

IUPAC5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C24H25FN2O2S/c1-18-7-12-22(25)15-24(18)30(28,29)26-23-13-14-27(17-23)16-19-8-10-21(11-9-19)20-5-3-2-4-6-20/h2-12,15,23,26H,13-14,16-17H2,1H3/t23-/m1/s1
InChIKeyZOPZOQTZDFMBGG-HSZRJFAPSA-N
MW424.54 g/mol
LogP4.35
Rot. Bonds6

About 5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide

5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 25037407) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
PubChem CID25037407
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC Name5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C24H25FN2O2S/c1-18-7-12-22(25)15-24(18)30(28,29)26-23-13-14-27(17-23)16-19-8-10-21(11-9-19)20-5-3-2-4-6-20/h2-12,15,23,26H,13-14,16-17H2,1H3/t23-/m1/s1
InChIKeyZOPZOQTZDFMBGG-HSZRJFAPSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide (CID 25037407) is 5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is ZOPZOQTZDFMBGG-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-18-7-12-22(25)15-24(18)30(28,29)26-23-13-14-27(17-23)16-19-8-10-21(11-9-19)20-5-3-2-4-6-20/h2-12,15,23,26H,13-14,16-17H2,1H3/t23-/m1/s1.
What are the key properties of 5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide?
5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 424.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 25037407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).