5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide

C22H22ClN3O2S — CID 130225240

IUPAC5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1)c1ccc(Cl)cn1
InChIInChI=1S/C22H22ClN3O2S/c23-20-10-11-22(24-14-20)29(27,28)25-21-12-13-26(16-21)15-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-11,14,21,25H,12-13,15-16H2/t21-/m1/s1
InChIKeyUBYXBSCQATTWNF-OAQYLSRUSA-N
MW427.96 g/mol
LogP3.95
Rot. Bonds6

About 5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide

5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide (PubChem CID 130225240) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide
PubChem CID130225240
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1)c1ccc(Cl)cn1
InChIInChI=1S/C22H22ClN3O2S/c23-20-10-11-22(24-14-20)29(27,28)25-21-12-13-26(16-21)15-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-11,14,21,25H,12-13,15-16H2/t21-/m1/s1
InChIKeyUBYXBSCQATTWNF-OAQYLSRUSA-N
XLogP3.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide (CID 130225240) is 5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide is O=S(=O)(N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide?
The InChIKey is UBYXBSCQATTWNF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c23-20-10-11-22(24-14-20)29(27,28)25-21-12-13-26(16-21)15-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-11,14,21,25H,12-13,15-16H2/t21-/m1/s1.
What are the key properties of 5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide?
5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide has a molecular weight of 427.96 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 130225240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).