1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide

C20H22ClN3O4S — CID 17368336

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide
SMILESC/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccc(O)c1
InChIInChI=1S/C20H22ClN3O4S/c1-14(16-3-2-4-18(25)13-16)22-23-20(26)15-9-11-24(12-10-15)29(27,28)19-7-5-17(21)6-8-19/h2-8,13,15,25H,9-12H2,1H3,(H,23,26)/b22-14+
InChIKeyZJCRJNBECKRKJM-HYARGMPZSA-N
MW435.93 g/mol
LogP2.99
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide (PubChem CID 17368336) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide
PubChem CID17368336
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide
SMILESC/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccc(O)c1
InChIInChI=1S/C20H22ClN3O4S/c1-14(16-3-2-4-18(25)13-16)22-23-20(26)15-9-11-24(12-10-15)29(27,28)19-7-5-17(21)6-8-19/h2-8,13,15,25H,9-12H2,1H3,(H,23,26)/b22-14+
InChIKeyZJCRJNBECKRKJM-HYARGMPZSA-N
XLogP2.99
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide 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

1-(4-methylphenyl)sulfonyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]piperidine-4-carboxamide
CID 20846863
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 19685369
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
CID 23098507
1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide
CID 135647869
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46495512
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
CID 27745097
1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
CID 3192879
1-(4-chlorophenyl)sulfonyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 26993774
N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 39752679

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide (CID 17368336) is 1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide is C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccc(O)c1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide?
The InChIKey is ZJCRJNBECKRKJM-HYARGMPZSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-14(16-3-2-4-18(25)13-16)22-23-20(26)15-9-11-24(12-10-15)29(27,28)19-7-5-17(21)6-8-19/h2-8,13,15,25H,9-12H2,1H3,(H,23,26)/b22-14+.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide has a molecular weight of 435.93 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide is sourced from PubChem (CID 17368336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).