(3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide

C19H19N3O2S — CID 156839506

IUPAC(3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cccc2cnccc12)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H19N3O2S/c23-25(24,21-19-8-4-7-16-13-20-11-9-18(16)19)22-12-10-17(14-22)15-5-2-1-3-6-15/h1-9,11,13,17,21H,10,12,14H2/t17-/m1/s1
InChIKeyHTMMHOPPQNMITF-QGZVFWFLSA-N
MW353.45 g/mol
LogP3.38
Rot. Bonds4

About (3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide

(3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide (PubChem CID 156839506) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide
PubChem CID156839506
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cccc2cnccc12)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H19N3O2S/c23-25(24,21-19-8-4-7-16-13-20-11-9-18(16)19)22-12-10-17(14-22)15-5-2-1-3-6-15/h1-9,11,13,17,21H,10,12,14H2/t17-/m1/s1
InChIKeyHTMMHOPPQNMITF-QGZVFWFLSA-N
XLogP3.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide (CID 156839506) is (3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide is O=S(=O)(Nc1cccc2cnccc12)N1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of (3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide?
The InChIKey is HTMMHOPPQNMITF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-25(24,21-19-8-4-7-16-13-20-11-9-18(16)19)22-12-10-17(14-22)15-5-2-1-3-6-15/h1-9,11,13,17,21H,10,12,14H2/t17-/m1/s1.
What are the key properties of (3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide?
(3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide has a molecular weight of 353.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-isoquinolin-5-yl-3-phenylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 156839506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).