1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine

C11H12ClNO2S — CID 141178417

IUPAC1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CC=CCC1
InChIInChI=1S/C11H12ClNO2S/c12-10-5-4-6-11(9-10)16(14,15)13-7-2-1-3-8-13/h1-2,4-6,9H,3,7-8H2
InChIKeyPODVJKGMUVVTCI-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.29
Rot. Bonds2

About 1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine

1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 141178417) has the molecular formula C11H12ClNO2S and a molecular weight of 257.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
PubChem CID141178417
Molecular FormulaC11H12ClNO2S
Molecular Weight257.74 g/mol
Exact Mass257.03
IUPAC Name1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CC=CCC1
InChIInChI=1S/C11H12ClNO2S/c12-10-5-4-6-11(9-10)16(14,15)13-7-2-1-3-8-13/h1-2,4-6,9H,3,7-8H2
InChIKeyPODVJKGMUVVTCI-UHFFFAOYSA-N
XLogP2.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.29
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

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(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
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1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
1-[2-chloro-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)phenyl]-N-methylmethanamine
CID 114414018
5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2,3-dihydro-1H-isoindole
CID 107422446
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
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1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine (CID 141178417) is 1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine is O=S(=O)(c1cccc(Cl)c1)N1CC=CCC1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is PODVJKGMUVVTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2S/c12-10-5-4-6-11(9-10)16(14,15)13-7-2-1-3-8-13/h1-2,4-6,9H,3,7-8H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine?
1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 257.74 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141178417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).