2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine

C21H14ClNO3S — CID 138969198

IUPAC2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine
SMILESO=S(=O)(c1ccc(Cl)c(Oc2ccccn2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14ClNO3S/c22-19-11-10-18(14-20(19)26-21-7-3-4-12-23-21)27(24,25)17-9-8-15-5-1-2-6-16(15)13-17/h1-14H
InChIKeyOBPBYCNBWAQVER-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.51
Rot. Bonds4

About 2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine

2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine (PubChem CID 138969198) has the molecular formula C21H14ClNO3S and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine.

Molecular Properties

Compound Name2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine
PubChem CID138969198
Molecular FormulaC21H14ClNO3S
Molecular Weight395.87 g/mol
Exact Mass395.04
IUPAC Name2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine
SMILESO=S(=O)(c1ccc(Cl)c(Oc2ccccn2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14ClNO3S/c22-19-11-10-18(14-20(19)26-21-7-3-4-12-23-21)27(24,25)17-9-8-15-5-1-2-6-16(15)13-17/h1-14H
InChIKeyOBPBYCNBWAQVER-UHFFFAOYSA-N
XLogP5.51
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-chlorophenyl)sulfonylnaphthalene
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CID 143039139
4,5-dichloro-2-pyridin-2-yloxyaniline
CID 107501007
2-[3-chloro-4-(6-propan-2-ylnaphthalen-2-yl)oxyphenoxy]pyridine
CID 91366744
3-pyridin-2-yloxybenzenesulfonyl chloride
CID 166604318
2-(2-chlorophenoxy)pyridine-4-sulfonyl chloride
CID 117167869
4-(2-chlorophenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596467
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
2-(2-chloro-4-phenylphenoxy)pyridine
CID 141486105
7-pyridin-2-yloxynaphthalen-2-ol
CID 60870474
3-chloro-4-pyridin-2-yloxybenzoic acid
CID 59625693

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine?
The IUPAC name of 2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine (CID 138969198) is 2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine.
What is the SMILES notation for 2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine?
The canonical SMILES for 2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine is O=S(=O)(c1ccc(Cl)c(Oc2ccccn2)c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine?
The InChIKey is OBPBYCNBWAQVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO3S/c22-19-11-10-18(14-20(19)26-21-7-3-4-12-23-21)27(24,25)17-9-8-15-5-1-2-6-16(15)13-17/h1-14H.
What are the key properties of 2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine?
2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine has a molecular weight of 395.87 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-naphthalen-2-ylsulfonylphenoxy)pyridine is sourced from PubChem (CID 138969198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).