N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide

C21H25N3O4S — CID 3457442

IUPACN'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESC=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1O
InChIInChI=1S/C21H25N3O4S/c1-15-7-9-18(10-8-15)29(27,28)24-13-11-17(12-14-24)21(26)23-22-16(2)19-5-3-4-6-20(19)25/h3-10,17,22,25H,2,11-14H2,1H3,(H,23,26)
InChIKeyRDSQGBQYKZEXRD-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.39
Rot. Bonds6

About N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide

N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 3457442) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID3457442
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESC=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1O
InChIInChI=1S/C21H25N3O4S/c1-15-7-9-18(10-8-15)29(27,28)24-13-11-17(12-14-24)21(26)23-22-16(2)19-5-3-4-6-20(19)25/h3-10,17,22,25H,2,11-14H2,1H3,(H,23,26)
InChIKeyRDSQGBQYKZEXRD-UHFFFAOYSA-N
XLogP2.39
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
1-(4-methylphenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 26905327
N-[2-(azepane-1-carbonyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648831
1-(4-methylphenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 100648054
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687
trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane
CID 102254531
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55727564

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide (CID 3457442) is N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide is C=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1O.
What is the InChIKey of N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is RDSQGBQYKZEXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-7-9-18(10-8-15)29(27,28)24-13-11-17(12-14-24)21(26)23-22-16(2)19-5-3-4-6-20(19)25/h3-10,17,22,25H,2,11-14H2,1H3,(H,23,26).
What are the key properties of N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 415.52 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-hydroxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 3457442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).