N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide

C11H14N2O2S — CID 74040702

IUPACN-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
SMILESCN1CCCC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2S/c1-13-9-5-8-11(13)12-16(14,15)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyYIIQRBDNWIBUSZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.50
Rot. Bonds2

About N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide

N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide (PubChem CID 74040702) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
PubChem CID74040702
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide
SMILESCN1CCCC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2S/c1-13-9-5-8-11(13)12-16(14,15)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyYIIQRBDNWIBUSZ-UHFFFAOYSA-N
XLogP1.50
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(1-methylpyrrolidin-2-ylidene)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 N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
The IUPAC name of N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide (CID 74040702) is N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide is CN1CCCC1=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
The InChIKey is YIIQRBDNWIBUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-13-9-5-8-11(13)12-16(14,15)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide?
N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide has a molecular weight of 238.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 74040702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).