4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride

C11H11ClFNO2S — CID 86204306

IUPAC4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C11H11ClFNO2S/c12-17(15,16)14-7-5-10(6-8-14)9-1-3-11(13)4-2-9/h1-5H,6-8H2
InChIKeyQKDPUUVSMMSKAI-UHFFFAOYSA-N
MW275.73 g/mol
LogP2.40
Rot. Bonds2

About 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride

4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride (PubChem CID 86204306) has the molecular formula C11H11ClFNO2S and a molecular weight of 275.73 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride
PubChem CID86204306
Molecular FormulaC11H11ClFNO2S
Molecular Weight275.73 g/mol
Exact Mass275.02
IUPAC Name4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C11H11ClFNO2S/c12-17(15,16)14-7-5-10(6-8-14)9-1-3-11(13)4-2-9/h1-5H,6-8H2
InChIKeyQKDPUUVSMMSKAI-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3643766
4-(4-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 92580442
1-[4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]sulfonylazepane
CID 1168486
1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3816431
(2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxyacetamide
CID 18727195
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3715757
methyl 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophene-2-carboxylate
CID 3381473
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid
CID 11220282
4-(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine
CID 22132290
(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 18727175
1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3819741

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride?
The IUPAC name of 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride (CID 86204306) is 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride.
What is the SMILES notation for 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride?
The canonical SMILES for 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride is O=S(=O)(Cl)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride?
The InChIKey is QKDPUUVSMMSKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2S/c12-17(15,16)14-7-5-10(6-8-14)9-1-3-11(13)4-2-9/h1-5H,6-8H2.
What are the key properties of 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride?
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride has a molecular weight of 275.73 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride is sourced from PubChem (CID 86204306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).