N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide

C23H24FN3O3S — CID 97244837

IUPACN-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1
InChIInChI=1S/C23H24FN3O3S/c1-2-27(19-6-4-3-5-7-19)31(29,30)21-12-13-23(25-15-21)26-16-20(28)14-22(26)17-8-10-18(24)11-9-17/h3-13,15,20,22,28H,2,14,16H2,1H3/t20-,22-/m1/s1
InChIKeyNBLHQWKARXZZIG-IFMALSPDSA-N
MW441.53 g/mol
LogP3.75
Rot. Bonds6

About N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide (PubChem CID 97244837) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide
PubChem CID97244837
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC NameN-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1
InChIInChI=1S/C23H24FN3O3S/c1-2-27(19-6-4-3-5-7-19)31(29,30)21-12-13-23(25-15-21)26-16-20(28)14-22(26)17-8-10-18(24)11-9-17/h3-13,15,20,22,28H,2,14,16H2,1H3/t20-,22-/m1/s1
InChIKeyNBLHQWKARXZZIG-IFMALSPDSA-N
XLogP3.75
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide (CID 97244837) is N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1.
What is the InChIKey of N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide?
The InChIKey is NBLHQWKARXZZIG-IFMALSPDSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-2-27(19-6-4-3-5-7-19)31(29,30)21-12-13-23(25-15-21)26-16-20(28)14-22(26)17-8-10-18(24)11-9-17/h3-13,15,20,22,28H,2,14,16H2,1H3/t20-,22-/m1/s1.
What are the key properties of N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide has a molecular weight of 441.53 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 97244837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).