1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide

C25H25N3O4S — CID 135647869

IUPAC1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide
SMILESO=C(N/N=C(\c1ccccc1)c1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H25N3O4S/c29-22-13-11-20(12-14-22)24(19-7-3-1-4-8-19)26-27-25(30)21-15-17-28(18-16-21)33(31,32)23-9-5-2-6-10-23/h1-14,21,29H,15-18H2,(H,27,30)/b26-24+
InChIKeyWZMROCUPBCVCMU-SHHOIMCASA-N
MW463.56 g/mol
LogP3.36
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide (PubChem CID 135647869) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide
PubChem CID135647869
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide
SMILESO=C(N/N=C(\c1ccccc1)c1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C25H25N3O4S/c29-22-13-11-20(12-14-22)24(19-7-3-1-4-8-19)26-27-25(30)21-15-17-28(18-16-21)33(31,32)23-9-5-2-6-10-23/h1-14,21,29H,15-18H2,(H,27,30)/b26-24+
InChIKeyWZMROCUPBCVCMU-SHHOIMCASA-N
XLogP3.36
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide
CID 17368336
N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 7809293
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 51071212
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797
(2E,4Z)-1-[1-(benzenesulfonyl)piperidin-4-yl]-5-bromo-4-phenylhexa-2,4-dien-1-one
CID 130330872
1-(benzenesulfonyl)-N-(pyridin-1-ium-2-ylmethyl)piperidine-4-carboxamide
CID 5054302
N-(benzhydrylideneamino)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 41375524
1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 100644384
1-(benzenesulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 131956185
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide (CID 135647869) is 1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide is O=C(N/N=C(\c1ccccc1)c1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide?
The InChIKey is WZMROCUPBCVCMU-SHHOIMCASA-N. The full InChI is InChI=1S/C25H25N3O4S/c29-22-13-11-20(12-14-22)24(19-7-3-1-4-8-19)26-27-25(30)21-15-17-28(18-16-21)33(31,32)23-9-5-2-6-10-23/h1-14,21,29H,15-18H2,(H,27,30)/b26-24+.
What are the key properties of 1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]piperidine-4-carboxamide is sourced from PubChem (CID 135647869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).