4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C14H22N2O2S — CID 3674522

IUPAC4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-13-5-7-14(8-6-13)19(17,18)15-9-4-12-16-10-2-3-11-16/h5-8,15H,2-4,9-12H2,1H3
InChIKeyPQSPRJCWUCYYOV-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.76
Rot. Bonds6

About 4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide

4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 3674522) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID3674522
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-13-5-7-14(8-6-13)19(17,18)15-9-4-12-16-10-2-3-11-16/h5-8,15H,2-4,9-12H2,1H3
InChIKeyPQSPRJCWUCYYOV-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(3-pyrrolidin-1-ylpropyl)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-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 3674522) is 4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1.
What is the InChIKey of 4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is PQSPRJCWUCYYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-13-5-7-14(8-6-13)19(17,18)15-9-4-12-16-10-2-3-11-16/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of 4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 3674522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).