N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide

C11H16ClN3O2S — CID 107465924

IUPACN-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H16ClN3O2S/c1-14(11-8-9(12)4-5-10(11)13)18(16,17)15-6-2-3-7-15/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyNZDVDRKLMBGEQE-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.70
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide

N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 107465924) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID107465924
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC NameN-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H16ClN3O2S/c1-14(11-8-9(12)4-5-10(11)13)18(16,17)15-6-2-3-7-15/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyNZDVDRKLMBGEQE-UHFFFAOYSA-N
XLogP1.70
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide 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-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide (CID 107465924) is N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide is CN(c1cc(Cl)ccc1N)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is NZDVDRKLMBGEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-14(11-8-9(12)4-5-10(11)13)18(16,17)15-6-2-3-7-15/h4-5,8H,2-3,6-7,13H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide?
N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 289.79 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 107465924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).