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

C14H13ClN2O2S — CID 24556255

IUPAC6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCc2ccccc21)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN2O2S/c15-14-8-6-11(9-16-14)20(18,19)17-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,13,17H,5,7H2
InChIKeyFGFIDQQKQWIDBC-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.70
Rot. Bonds3

About 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide

6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide (PubChem CID 24556255) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
PubChem CID24556255
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCc2ccccc21)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN2O2S/c15-14-8-6-11(9-16-14)20(18,19)17-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,13,17H,5,7H2
InChIKeyFGFIDQQKQWIDBC-UHFFFAOYSA-N
XLogP2.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide (CID 24556255) is 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide is O=S(=O)(NC1CCc2ccccc21)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
The InChIKey is FGFIDQQKQWIDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-14-8-6-11(9-16-14)20(18,19)17-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,13,17H,5,7H2.
What are the key properties of 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide has a molecular weight of 308.79 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 24556255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).