8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane

C19H21ClN2O3S — CID 121186748

IUPAC8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2ccncc2)C3)cc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-13-2-5-18(12-19(13)20)26(23,24)22-14-3-4-15(22)11-17(10-14)25-16-6-8-21-9-7-16/h2,5-9,12,14-15,17H,3-4,10-11H2,1H3
InChIKeyHLXSLESCVKSZFE-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.81
Rot. Bonds4

About 8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane

8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 121186748) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID121186748
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2ccncc2)C3)cc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-13-2-5-18(12-19(13)20)26(23,24)22-14-3-4-15(22)11-17(10-14)25-16-6-8-21-9-7-16/h2,5-9,12,14-15,17H,3-4,10-11H2,1H3
InChIKeyHLXSLESCVKSZFE-UHFFFAOYSA-N
XLogP3.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

8-(3-chloro-4-methylphenyl)sulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane
CID 121178396
8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186745
8-(5-chloro-2-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186250
8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186224
8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186718
8-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
CID 154884108
8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186274
(1S,5S)-3-pyridin-3-yloxy-8-(2,3,5,6-tetramethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 129357348
(1R,5S)-8-[3-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]propylsulfonyl]-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 59367745
4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617490
8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186710
(1S,5S)-8-(2-chlorophenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 129357632

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane (CID 121186748) is 8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane is Cc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2ccncc2)C3)cc1Cl.
What is the InChIKey of 8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is HLXSLESCVKSZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13-2-5-18(12-19(13)20)26(23,24)22-14-3-4-15(22)11-17(10-14)25-16-6-8-21-9-7-16/h2,5-9,12,14-15,17H,3-4,10-11H2,1H3.
What are the key properties of 8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane has a molecular weight of 392.91 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121186748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).