(4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate

C19H20ClNO4S — CID 7900849

IUPAC(4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4S/c20-16-6-8-17(9-7-16)25-19(22)14-15-4-10-18(11-5-15)26(23,24)21-12-2-1-3-13-21/h4-11H,1-3,12-14H2
InChIKeyUOSDWJMGFXGXIG-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.66
Rot. Bonds5

About (4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate

(4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate (PubChem CID 7900849) has the molecular formula C19H20ClNO4S and a molecular weight of 393.89 g/mol. Its IUPAC name is (4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate
PubChem CID7900849
Molecular FormulaC19H20ClNO4S
Molecular Weight393.89 g/mol
Exact Mass393.08
IUPAC Name(4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4S/c20-16-6-8-17(9-7-16)25-19(22)14-15-4-10-18(11-5-15)26(23,24)21-12-2-1-3-13-21/h4-11H,1-3,12-14H2
InChIKeyUOSDWJMGFXGXIG-UHFFFAOYSA-N
XLogP3.66
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)ethyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate
CID 38130843
(4-propan-2-ylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 18283365
(4-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557889
N-(5-chloro-2-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51188709
2-(4-fluorophenoxy)ethyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 9323178
2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 55348670
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 1010577
3-phenoxypropyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55569298
[4-(azepan-1-ylsulfonyl)phenyl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 26173836
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The IUPAC name of (4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate (CID 7900849) is (4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate.
What is the SMILES notation for (4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The canonical SMILES for (4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The InChIKey is UOSDWJMGFXGXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4S/c20-16-6-8-17(9-7-16)25-19(22)14-15-4-10-18(11-5-15)26(23,24)21-12-2-1-3-13-21/h4-11H,1-3,12-14H2.
What are the key properties of (4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
(4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate has a molecular weight of 393.89 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate is sourced from PubChem (CID 7900849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).