1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine

C14H18ClNO2S — CID 130186824

IUPAC1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO2S/c1-11(2)12-4-3-9-16(10-12)19(17,18)14-7-5-13(15)6-8-14/h4-8,11H,3,9-10H2,1-2H3
InChIKeyABYNEMDOXXVEOD-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine

1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 130186824) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID130186824
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO2S/c1-11(2)12-4-3-9-16(10-12)19(17,18)14-7-5-13(15)6-8-14/h4-8,11H,3,9-10H2,1-2H3
InChIKeyABYNEMDOXXVEOD-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-yl-1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridine
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1-(4-chlorophenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-4-ium
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(3S)-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 27521360
1-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-2-methylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine (CID 130186824) is 1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)C1=CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is ABYNEMDOXXVEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c1-11(2)12-4-3-9-16(10-12)19(17,18)14-7-5-13(15)6-8-14/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine?
1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 299.82 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130186824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).