2-chloro-N-octan-4-ylpyridine-4-sulfonamide

C13H21ClN2O2S — CID 114138590

IUPAC2-chloro-N-octan-4-ylpyridine-4-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H21ClN2O2S/c1-3-5-7-11(6-4-2)16-19(17,18)12-8-9-15-13(14)10-12/h8-11,16H,3-7H2,1-2H3
InChIKeyYSWZIZMPYGCBLI-UHFFFAOYSA-N
MW304.84 g/mol
LogP3.37
Rot. Bonds8

About 2-chloro-N-octan-4-ylpyridine-4-sulfonamide

2-chloro-N-octan-4-ylpyridine-4-sulfonamide (PubChem CID 114138590) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 2-chloro-N-octan-4-ylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-octan-4-ylpyridine-4-sulfonamide
PubChem CID114138590
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name2-chloro-N-octan-4-ylpyridine-4-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H21ClN2O2S/c1-3-5-7-11(6-4-2)16-19(17,18)12-8-9-15-13(14)10-12/h8-11,16H,3-7H2,1-2H3
InChIKeyYSWZIZMPYGCBLI-UHFFFAOYSA-N
XLogP3.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823
2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide
CID 61052003
2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
CID 54950253
2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
CID 106027708
6-amino-N-octan-4-ylpyridine-3-sulfonamide
CID 106022026
4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022413
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
6-hydrazinyl-N-octan-4-ylpyridine-3-sulfonamide
CID 106025657
N-nonan-4-ylbenzenesulfonamide
CID 174769116
2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 54895920
2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
CID 61051592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-octan-4-ylpyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-octan-4-ylpyridine-4-sulfonamide (CID 114138590) is 2-chloro-N-octan-4-ylpyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-octan-4-ylpyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-octan-4-ylpyridine-4-sulfonamide is CCCCC(CCC)NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-octan-4-ylpyridine-4-sulfonamide?
The InChIKey is YSWZIZMPYGCBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-3-5-7-11(6-4-2)16-19(17,18)12-8-9-15-13(14)10-12/h8-11,16H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-octan-4-ylpyridine-4-sulfonamide?
2-chloro-N-octan-4-ylpyridine-4-sulfonamide has a molecular weight of 304.84 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-octan-4-ylpyridine-4-sulfonamide is sourced from PubChem (CID 114138590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).