1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine

C14H20ClNO3S — CID 27243935

IUPAC1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine
SMILESCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H20ClNO3S/c1-2-10-19-13-7-6-12(15)11-14(13)20(17,18)16-8-4-3-5-9-16/h6-7,11H,2-5,8-10H2,1H3
InChIKeyLWSKNWLIAPQJOW-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.30
Rot. Bonds5

About 1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine

1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine (PubChem CID 27243935) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine
PubChem CID27243935
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine
SMILESCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H20ClNO3S/c1-2-10-19-13-7-6-12(15)11-14(13)20(17,18)16-8-4-3-5-9-16/h6-7,11H,2-5,8-10H2,1H3
InChIKeyLWSKNWLIAPQJOW-UHFFFAOYSA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 92647753
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647741
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-ethylphenyl)acetamide
CID 92647686
N-(4-butylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647774
1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
CID 30147236
(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 9003807
N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647698
4-chloro-2-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135595753
N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55895644
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 92647718

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine (CID 27243935) is 1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine is CCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine?
The InChIKey is LWSKNWLIAPQJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-2-10-19-13-7-6-12(15)11-14(13)20(17,18)16-8-4-3-5-9-16/h6-7,11H,2-5,8-10H2,1H3.
What are the key properties of 1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine?
1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine has a molecular weight of 317.84 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 27243935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).