6-chloro-N-cyclooctylpyridine-3-sulfonamide

C13H19ClN2O2S — CID 7938157

IUPAC6-chloro-N-cyclooctylpyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C13H19ClN2O2S/c14-13-9-8-12(10-15-13)19(17,18)16-11-6-4-2-1-3-5-7-11/h8-11,16H,1-7H2
InChIKeyHXMYTTNBPMVMOS-UHFFFAOYSA-N
MW302.83 g/mol
LogP3.13
Rot. Bonds3

About 6-chloro-N-cyclooctylpyridine-3-sulfonamide

6-chloro-N-cyclooctylpyridine-3-sulfonamide (PubChem CID 7938157) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 6-chloro-N-cyclooctylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-cyclooctylpyridine-3-sulfonamide
PubChem CID7938157
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name6-chloro-N-cyclooctylpyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C13H19ClN2O2S/c14-13-9-8-12(10-15-13)19(17,18)16-11-6-4-2-1-3-5-7-11/h8-11,16H,1-7H2
InChIKeyHXMYTTNBPMVMOS-UHFFFAOYSA-N
XLogP3.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 53.13
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

6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide
CID 60722058
6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide
CID 103765722
6-cyano-N-cyclooctylpyridine-3-sulfonamide
CID 115602393
6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide
CID 124835688
6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide
CID 97012651
6-amino-N-cyclobutylpyridine-3-sulfonamide
CID 62414646
6-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 103836075
6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide
CID 80601602
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide
CID 24627279
N-cyclopropyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 96664227
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 24556255

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclooctylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-cyclooctylpyridine-3-sulfonamide (CID 7938157) is 6-chloro-N-cyclooctylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-cyclooctylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-cyclooctylpyridine-3-sulfonamide is O=S(=O)(NC1CCCCCCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-cyclooctylpyridine-3-sulfonamide?
The InChIKey is HXMYTTNBPMVMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c14-13-9-8-12(10-15-13)19(17,18)16-11-6-4-2-1-3-5-7-11/h8-11,16H,1-7H2.
What are the key properties of 6-chloro-N-cyclooctylpyridine-3-sulfonamide?
6-chloro-N-cyclooctylpyridine-3-sulfonamide has a molecular weight of 302.83 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclooctylpyridine-3-sulfonamide is sourced from PubChem (CID 7938157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).