6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide

C13H15ClN2O2S — CID 103765722

IUPAC6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1C2C3CCC(C3)C12)c1ccc(Cl)nc1
InChIInChI=1S/C13H15ClN2O2S/c14-10-4-3-9(6-15-10)19(17,18)16-13-11-7-1-2-8(5-7)12(11)13/h3-4,6-8,11-13,16H,1-2,5H2
InChIKeySNKVXEBAQMVRJE-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.06
Rot. Bonds3

About 6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide

6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide (PubChem CID 103765722) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide
PubChem CID103765722
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1C2C3CCC(C3)C12)c1ccc(Cl)nc1
InChIInChI=1S/C13H15ClN2O2S/c14-10-4-3-9(6-15-10)19(17,18)16-13-11-7-1-2-8(5-7)12(11)13/h3-4,6-8,11-13,16H,1-2,5H2
InChIKeySNKVXEBAQMVRJE-UHFFFAOYSA-N
XLogP2.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.06
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-cyclooctylpyridine-3-sulfonamide
CID 7938157
4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 104600135
6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide
CID 80601602
4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 103765723
6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide
CID 60722058
6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide
CID 124835688
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 24556255
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
6-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 103836075
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 114629375
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 43401368

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide (CID 103765722) is 6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide is O=S(=O)(NC1C2C3CCC(C3)C12)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide?
The InChIKey is SNKVXEBAQMVRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-10-4-3-9(6-15-10)19(17,18)16-13-11-7-1-2-8(5-7)12(11)13/h3-4,6-8,11-13,16H,1-2,5H2.
What are the key properties of 6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide?
6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide has a molecular weight of 298.80 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103765722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).