N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide

C19H24N2O3S — CID 3145446

IUPACN-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC(O)CN1CCCC1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c22-18(15-20-13-7-8-14-20)16-21(17-9-3-1-4-10-17)25(23,24)19-11-5-2-6-12-19/h1-6,9-12,18,22H,7-8,13-16H2
InChIKeyLKGJLRYIXVELFX-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.34
Rot. Bonds7

About N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide

N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide (PubChem CID 3145446) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide
PubChem CID3145446
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC(O)CN1CCCC1)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c22-18(15-20-13-7-8-14-20)16-21(17-9-3-1-4-10-17)25(23,24)19-11-5-2-6-12-19/h1-6,9-12,18,22H,7-8,13-16H2
InChIKeyLKGJLRYIXVELFX-UHFFFAOYSA-N
XLogP2.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide (CID 3145446) is N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(CC(O)CN1CCCC1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide?
The InChIKey is LKGJLRYIXVELFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c22-18(15-20-13-7-8-14-20)16-21(17-9-3-1-4-10-17)25(23,24)19-11-5-2-6-12-19/h1-6,9-12,18,22H,7-8,13-16H2.
What are the key properties of N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide?
N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3145446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).