(2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

C19H16Cl2N2O4S — CID 55412305

IUPAC(2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H16Cl2N2O4S/c20-15-3-6-18(17(21)11-15)27-19(24)14-7-9-23(10-8-14)28(25,26)16-4-1-13(12-22)2-5-16/h1-6,11,14H,7-10H2
InChIKeyUJZFRUXJVUAYGW-UHFFFAOYSA-N
MW439.32 g/mol
LogP3.87
Rot. Bonds4

About (2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

(2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 55412305) has the molecular formula C19H16Cl2N2O4S and a molecular weight of 439.32 g/mol. Its IUPAC name is (2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID55412305
Molecular FormulaC19H16Cl2N2O4S
Molecular Weight439.32 g/mol
Exact Mass438.02
IUPAC Name(2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C19H16Cl2N2O4S/c20-15-3-6-18(17(21)11-15)27-19(24)14-7-9-23(10-8-14)28(25,26)16-4-1-13(12-22)2-5-16/h1-6,11,14H,7-10H2
InChIKeyUJZFRUXJVUAYGW-UHFFFAOYSA-N
XLogP3.87
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-5-methylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate
CID 26705478
(2,4-dichlorophenyl) 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55335218
(2-bromo-4-fluorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate
CID 39995969
(2-chlorophenyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 26096661
(4-propoxyphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate
CID 26704386
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 134008646
[(1R)-1-cyanoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7739720
[4-(2,2-dicyanoethenyl)phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 3258391
(4-cyanophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 29321290
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 45353380
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
(2,6-dimethylphenyl) 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 8765614

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate (CID 55412305) is (2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate is N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of (2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is UJZFRUXJVUAYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4S/c20-15-3-6-18(17(21)11-15)27-19(24)14-7-9-23(10-8-14)28(25,26)16-4-1-13(12-22)2-5-16/h1-6,11,14H,7-10H2.
What are the key properties of (2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate?
(2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 439.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 55412305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).