4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide

C12H18N2O3S — CID 18971393

IUPAC4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C12H18N2O3S/c13-18(15,16)12-5-3-11(4-6-12)17-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2,(H2,13,15,16)
InChIKeyOMLSKMGYOARVQY-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.81
Rot. Bonds5

About 4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide

4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide (PubChem CID 18971393) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
PubChem CID18971393
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C12H18N2O3S/c13-18(15,16)12-5-3-11(4-6-12)17-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2,(H2,13,15,16)
InChIKeyOMLSKMGYOARVQY-UHFFFAOYSA-N
XLogP0.81
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The IUPAC name of 4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide (CID 18971393) is 4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The InChIKey is OMLSKMGYOARVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-18(15,16)12-5-3-11(4-6-12)17-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2,(H2,13,15,16).
What are the key properties of 4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 18971393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).