N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide

C12H11BrClN3O3S — CID 130302600

IUPACN-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide
SMILESCOCc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C12H11BrClN3O3S/c1-20-7-10-11(4-8(14)6-16-10)21(18,19)17-9-2-3-15-12(13)5-9/h2-6H,7H2,1H3,(H,15,17)
InChIKeyUWYSDRBQYVFCQO-UHFFFAOYSA-N
MW392.66 g/mol
LogP2.84
Rot. Bonds5

About N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide

N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide (PubChem CID 130302600) has the molecular formula C12H11BrClN3O3S and a molecular weight of 392.66 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide
PubChem CID130302600
Molecular FormulaC12H11BrClN3O3S
Molecular Weight392.66 g/mol
Exact Mass390.94
IUPAC NameN-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide
SMILESCOCc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C12H11BrClN3O3S/c1-20-7-10-11(4-8(14)6-16-10)21(18,19)17-9-2-3-15-12(13)5-9/h2-6H,7H2,1H3,(H,15,17)
InChIKeyUWYSDRBQYVFCQO-UHFFFAOYSA-N
XLogP2.84
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.66
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)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

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide (CID 130302600) is N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide is COCc1ncc(Cl)cc1S(=O)(=O)Nc1ccnc(Br)c1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide?
The InChIKey is UWYSDRBQYVFCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O3S/c1-20-7-10-11(4-8(14)6-16-10)21(18,19)17-9-2-3-15-12(13)5-9/h2-6H,7H2,1H3,(H,15,17).
What are the key properties of N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide?
N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide has a molecular weight of 392.66 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-pyridinyl)-5-chloro-2-(methoxymethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 130302600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).