3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine

C23H21ClN2O3S — CID 175712884

IUPAC3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2cncc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C23H21ClN2O3S/c24-21-6-8-23(9-7-21)30(27,28)26-12-10-19(11-13-26)20-14-22(16-25-15-20)29-17-18-4-2-1-3-5-18/h1-10,14-16H,11-13,17H2
InChIKeyUCQQISVFQXHTHM-UHFFFAOYSA-N
MW440.95 g/mol
LogP4.79
Rot. Bonds6

About 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine

3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine (PubChem CID 175712884) has the molecular formula C23H21ClN2O3S and a molecular weight of 440.95 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine
PubChem CID175712884
Molecular FormulaC23H21ClN2O3S
Molecular Weight440.95 g/mol
Exact Mass440.10
IUPAC Name3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2cncc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C23H21ClN2O3S/c24-21-6-8-23(9-7-21)30(27,28)26-12-10-19(11-13-26)20-14-22(16-25-15-20)29-17-18-4-2-1-3-5-18/h1-10,14-16H,11-13,17H2
InChIKeyUCQQISVFQXHTHM-UHFFFAOYSA-N
XLogP4.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]phenol
CID 139619038
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 3643766
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 35327621
3-[4-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]propanoic acid
CID 139618961
6-[[4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 20914298
1-(2-chlorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3819741
5-(4-chlorophenyl)sulfonyl-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53033264
1-[(4-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methylindole
CID 53027442
8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967780
(4-phenylmethoxyphenyl) 4-chlorobenzenesulfonate
CID 2799692
5-phenylmethoxypyridin-3-amine
CID 22989735
(2-aminoacetyl) 5-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-phenylmethoxypyridine-2-carboxylate
CID 175523318

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine?
The IUPAC name of 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine (CID 175712884) is 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine?
The canonical SMILES for 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine is O=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2cncc(OCc3ccccc3)c2)CC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine?
The InChIKey is UCQQISVFQXHTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3S/c24-21-6-8-23(9-7-21)30(27,28)26-12-10-19(11-13-26)20-14-22(16-25-15-20)29-17-18-4-2-1-3-5-18/h1-10,14-16H,11-13,17H2.
What are the key properties of 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine?
3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine has a molecular weight of 440.95 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-phenylmethoxypyridine is sourced from PubChem (CID 175712884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).