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

C17H15ClFNO2S — CID 3643766

IUPAC1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H15ClFNO2S/c18-15-3-7-17(8-4-15)23(21,22)20-11-9-14(10-12-20)13-1-5-16(19)6-2-13/h1-9H,10-12H2
InChIKeyARKRAPPXNDQURZ-UHFFFAOYSA-N
MW351.83 g/mol
LogP3.96
Rot. Bonds3

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

1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 3643766) has the molecular formula C17H15ClFNO2S and a molecular weight of 351.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID3643766
Molecular FormulaC17H15ClFNO2S
Molecular Weight351.83 g/mol
Exact Mass351.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H15ClFNO2S/c18-15-3-7-17(8-4-15)23(21,22)20-11-9-14(10-12-20)13-1-5-16(19)6-2-13/h1-9H,10-12H2
InChIKeyARKRAPPXNDQURZ-UHFFFAOYSA-N
XLogP3.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]sulfonylazepane
CID 1168486
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-sulfonyl chloride
CID 86204306
1-(4-butylphenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3816431
3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol
CID 139619038
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 86224949
4-(4-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 92580442
1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3715757
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazin-4-ium chloride
CID 18531569
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
3-[1-(4-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867214
3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine
CID 175712884

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 3643766) is 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is O=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is ARKRAPPXNDQURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2S/c18-15-3-7-17(8-4-15)23(21,22)20-11-9-14(10-12-20)13-1-5-16(19)6-2-13/h1-9H,10-12H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 351.83 g/mol, XLogP of 3.96, 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-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3643766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).