4-chloro-N-octylpyridine-3-sulfonamide

C13H21ClN2O2S — CID 113337153

IUPAC4-chloro-N-octylpyridine-3-sulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C13H21ClN2O2S/c1-2-3-4-5-6-7-9-16-19(17,18)13-11-15-10-8-12(13)14/h8,10-11,16H,2-7,9H2,1H3
InChIKeyVJZCXGISEAUFEA-UHFFFAOYSA-N
MW304.84 g/mol
LogP3.37
Rot. Bonds9

About 4-chloro-N-octylpyridine-3-sulfonamide

4-chloro-N-octylpyridine-3-sulfonamide (PubChem CID 113337153) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 4-chloro-N-octylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-octylpyridine-3-sulfonamide
PubChem CID113337153
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name4-chloro-N-octylpyridine-3-sulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C13H21ClN2O2S/c1-2-3-4-5-6-7-9-16-19(17,18)13-11-15-10-8-12(13)14/h8,10-11,16H,2-7,9H2,1H3
InChIKeyVJZCXGISEAUFEA-UHFFFAOYSA-N
XLogP3.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-(diethylamino)propyl]pyridine-3-sulfonamide
CID 15154305
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide
CID 106336289
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
CID 104940855
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
N-(5-methylhexyl)-4-(propylamino)pyridine-3-sulfonamide
CID 115327205
4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64531519
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide
CID 64629810
3-amino-4-bromo-5-chloro-2-fluoro-N-hexylbenzenesulfonamide
CID 103077353

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-octylpyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-octylpyridine-3-sulfonamide (CID 113337153) is 4-chloro-N-octylpyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-octylpyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-octylpyridine-3-sulfonamide is CCCCCCCCNS(=O)(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-octylpyridine-3-sulfonamide?
The InChIKey is VJZCXGISEAUFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-2-3-4-5-6-7-9-16-19(17,18)13-11-15-10-8-12(13)14/h8,10-11,16H,2-7,9H2,1H3.
What are the key properties of 4-chloro-N-octylpyridine-3-sulfonamide?
4-chloro-N-octylpyridine-3-sulfonamide has a molecular weight of 304.84 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-octylpyridine-3-sulfonamide is sourced from PubChem (CID 113337153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).