6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide

C12H18ClN3O2S — CID 110301549

IUPAC6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)nc1)N1CCCC1
InChIInChI=1S/C12H18ClN3O2S/c1-10(16-6-2-3-7-16)8-15-19(17,18)11-4-5-12(13)14-9-11/h4-5,9-10,15H,2-3,6-8H2,1H3
InChIKeyVGLFHYSEDOLMNM-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.50
Rot. Bonds5

About 6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide

6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide (PubChem CID 110301549) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is 6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
PubChem CID110301549
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC Name6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(Cl)nc1)N1CCCC1
InChIInChI=1S/C12H18ClN3O2S/c1-10(16-6-2-3-7-16)8-15-19(17,18)11-4-5-12(13)14-9-11/h4-5,9-10,15H,2-3,6-8H2,1H3
InChIKeyVGLFHYSEDOLMNM-UHFFFAOYSA-N
XLogP1.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide
CID 86767944
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
3-bromo-4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106545497
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide
CID 61250547
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63964340
3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 54903887
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420
3-bromo-4-methoxy-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112727228
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide (CID 110301549) is 6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide is CC(CNS(=O)(=O)c1ccc(Cl)nc1)N1CCCC1.
What is the InChIKey of 6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide?
The InChIKey is VGLFHYSEDOLMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-10(16-6-2-3-7-16)8-15-19(17,18)11-4-5-12(13)14-9-11/h4-5,9-10,15H,2-3,6-8H2,1H3.
What are the key properties of 6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide?
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide has a molecular weight of 303.81 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 110301549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).