3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol

C17H16ClNO3S — CID 139619038

IUPAC3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2cccc(O)c2)CC1
InChIInChI=1S/C17H16ClNO3S/c18-15-4-6-17(7-5-15)23(21,22)19-10-8-13(9-11-19)14-2-1-3-16(20)12-14/h1-8,12,20H,9-11H2
InChIKeyLAIOPXISNLACKA-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.52
Rot. Bonds3

About 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol

3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol (PubChem CID 139619038) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol
PubChem CID139619038
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2cccc(O)c2)CC1
InChIInChI=1S/C17H16ClNO3S/c18-15-4-6-17(7-5-15)23(21,22)19-10-8-13(9-11-19)14-2-1-3-16(20)12-14/h1-8,12,20H,9-11H2
InChIKeyLAIOPXISNLACKA-UHFFFAOYSA-N
XLogP3.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3643766
3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine
CID 175712884
1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3715757
1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3819741
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 86224949
3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol
CID 53218745
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145
1-[4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]sulfonylazepane
CID 1168486
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 35327621
1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
CID 35934098
3-(4-chlorophenyl)phenol
CID 3015395
7-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4H-1,4-benzothiazin-3-one
CID 6624112

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol?
The IUPAC name of 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol (CID 139619038) is 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol.
What is the SMILES notation for 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol?
The canonical SMILES for 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol is O=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2cccc(O)c2)CC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol?
The InChIKey is LAIOPXISNLACKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c18-15-4-6-17(7-5-15)23(21,22)19-10-8-13(9-11-19)14-2-1-3-16(20)12-14/h1-8,12,20H,9-11H2.
What are the key properties of 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol?
3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol has a molecular weight of 349.84 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol is sourced from PubChem (CID 139619038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).