N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide

C12H19N3O3S — CID 43550524

IUPACN-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
SMILESNc1ccccc1N(CCO)S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H19N3O3S/c13-11-5-1-2-6-12(11)15(9-10-16)19(17,18)14-7-3-4-8-14/h1-2,5-6,16H,3-4,7-10,13H2
InChIKeyPEPMFGHCVFZTBV-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.41
Rot. Bonds5

About N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide

N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide (PubChem CID 43550524) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
PubChem CID43550524
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
SMILESNc1ccccc1N(CCO)S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H19N3O3S/c13-11-5-1-2-6-12(11)15(9-10-16)19(17,18)14-7-3-4-8-14/h1-2,5-6,16H,3-4,7-10,13H2
InChIKeyPEPMFGHCVFZTBV-UHFFFAOYSA-N
XLogP0.41
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide (CID 43550524) is N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide is Nc1ccccc1N(CCO)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
The InChIKey is PEPMFGHCVFZTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c13-11-5-1-2-6-12(11)15(9-10-16)19(17,18)14-7-3-4-8-14/h1-2,5-6,16H,3-4,7-10,13H2.
What are the key properties of N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-(2-hydroxyethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 43550524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).