5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine

C14H19ClN2O2S — CID 115774315

IUPAC5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine
SMILESCC(C)(C)C1=CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H19ClN2O2S/c1-14(2,3)11-6-8-17(9-7-11)20(18,19)12-4-5-13(15)16-10-12/h4-6,10H,7-9H2,1-3H3
InChIKeyDVDPKUWJOYXMLX-UHFFFAOYSA-N
MW314.84 g/mol
LogP3.10
Rot. Bonds2

About 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine

5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine (PubChem CID 115774315) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine.

Molecular Properties

Compound Name5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine
PubChem CID115774315
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine
SMILESCC(C)(C)C1=CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H19ClN2O2S/c1-14(2,3)11-6-8-17(9-7-11)20(18,19)12-4-5-13(15)16-10-12/h4-6,10H,7-9H2,1-3H3
InChIKeyDVDPKUWJOYXMLX-UHFFFAOYSA-N
XLogP3.10
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 153307532
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloroaniline
CID 114460480
[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 114460479
1-[(6-chloro-3-pyridinyl)sulfonyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 7509881
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-methylaniline
CID 114459742
5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pyridin-2-amine
CID 114489388
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-chloroaniline
CID 114459734
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-fluoroaniline
CID 114459716
tert-butyl 4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
CID 11739940
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyridine-2-carbonitrile
CID 106546619
[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methanol
CID 114460972
8-[(6-chloro-3-pyridinyl)sulfonyl]-8-azaspiro[4.5]decane
CID 63160154

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine?
The IUPAC name of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine (CID 115774315) is 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine.
What is the SMILES notation for 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine?
The canonical SMILES for 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine is CC(C)(C)C1=CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine?
The InChIKey is DVDPKUWJOYXMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-14(2,3)11-6-8-17(9-7-11)20(18,19)12-4-5-13(15)16-10-12/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine?
5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine has a molecular weight of 314.84 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloropyridine is sourced from PubChem (CID 115774315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).