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

C14H13ClN2O2S — CID 61052493

IUPAC2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCc2ccccc21)c1cccnc1Cl
InChIInChI=1S/C14H13ClN2O2S/c15-14-13(6-3-9-16-14)20(18,19)17-12-8-7-10-4-1-2-5-11(10)12/h1-6,9,12,17H,7-8H2
InChIKeyTUBOXVXGTSYKKB-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.70
Rot. Bonds3

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

2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide (PubChem CID 61052493) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
PubChem CID61052493
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCc2ccccc21)c1cccnc1Cl
InChIInChI=1S/C14H13ClN2O2S/c15-14-13(6-3-9-16-14)20(18,19)17-12-8-7-10-4-1-2-5-11(10)12/h1-6,9,12,17H,7-8H2
InChIKeyTUBOXVXGTSYKKB-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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Related Compounds

2-chloro-N-cyclobutylpyridine-3-sulfonamide
CID 62414188
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 24556255
N-(2,3-dihydro-1H-inden-1-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 17487417
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61274952
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
3-chloro-N-(2,3-dihydro-1H-inden-1-yl)propane-1-sulfonamide
CID 43654489
N-(2,3-dihydro-1H-inden-1-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274764
N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 55598185
2-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-sulfonamide
CID 65472564
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 56581813
[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 95795756
2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 83013823

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide (CID 61052493) is 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide is O=S(=O)(NC1CCc2ccccc21)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
The InChIKey is TUBOXVXGTSYKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-14-13(6-3-9-16-14)20(18,19)17-12-8-7-10-4-1-2-5-11(10)12/h1-6,9,12,17H,7-8H2.
What are the key properties of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide?
2-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 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61052493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).