5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide

C14H12BrClN2O2S — CID 65032345

IUPAC5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1c2ccccc2CC1Cl)c1cncc(Br)c1
InChIInChI=1S/C14H12BrClN2O2S/c15-10-6-11(8-17-7-10)21(19,20)18-14-12-4-2-1-3-9(12)5-13(14)16/h1-4,6-8,13-14,18H,5H2
InChIKeyVJJWWNMJMIULEH-UHFFFAOYSA-N
MW387.69 g/mol
LogP3.03
Rot. Bonds3

About 5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide

5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide (PubChem CID 65032345) has the molecular formula C14H12BrClN2O2S and a molecular weight of 387.69 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
PubChem CID65032345
Molecular FormulaC14H12BrClN2O2S
Molecular Weight387.69 g/mol
Exact Mass385.95
IUPAC Name5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1c2ccccc2CC1Cl)c1cncc(Br)c1
InChIInChI=1S/C14H12BrClN2O2S/c15-10-6-11(8-17-7-10)21(19,20)18-14-12-4-2-1-3-9(12)5-13(14)16/h1-4,6-8,13-14,18H,5H2
InChIKeyVJJWWNMJMIULEH-UHFFFAOYSA-N
XLogP3.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.69
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)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 5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide (CID 65032345) is 5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide is O=S(=O)(NC1c2ccccc2CC1Cl)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
The InChIKey is VJJWWNMJMIULEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2S/c15-10-6-11(8-17-7-10)21(19,20)18-14-12-4-2-1-3-9(12)5-13(14)16/h1-4,6-8,13-14,18H,5H2.
What are the key properties of 5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide has a molecular weight of 387.69 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 65032345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).