2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide

C19H20Cl3N3O3S — CID 24960427

IUPAC2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide
SMILESO=C(CC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl3N3O3S/c20-14-4-1-5-16(10-14)29(27,28)25-8-2-3-13(12-25)9-19(26)24-23-18-7-6-15(21)11-17(18)22/h1,4-7,10-11,13,23H,2-3,8-9,12H2,(H,24,26)
InChIKeyHZJJTFFWXKOWCA-UHFFFAOYSA-N
MW476.81 g/mol
LogP4.58
Rot. Bonds6

About 2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide

2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide (PubChem CID 24960427) has the molecular formula C19H20Cl3N3O3S and a molecular weight of 476.81 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide
PubChem CID24960427
Molecular FormulaC19H20Cl3N3O3S
Molecular Weight476.81 g/mol
Exact Mass475.03
IUPAC Name2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide
SMILESO=C(CC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl3N3O3S/c20-14-4-1-5-16(10-14)29(27,28)25-8-2-3-13(12-25)9-19(26)24-23-18-7-6-15(21)11-17(18)22/h1,4-7,10-11,13,23H,2-3,8-9,12H2,(H,24,26)
InChIKeyHZJJTFFWXKOWCA-UHFFFAOYSA-N
XLogP4.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.81
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N'-(4-chlorophenyl)acetohydrazide
CID 24957468
2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
CID 24961532
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
CID 24962602
1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 43042431
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 53211439
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
[5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol
CID 71068252
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
2-[1-(2,3-dichlorophenyl)sulfonylpiperidin-3-yl]-N-(4-methylpiperidin-1-yl)acetamide
CID 69169149
N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68875719

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide?
The IUPAC name of 2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide (CID 24960427) is 2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide?
The canonical SMILES for 2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide is O=C(CC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)NNc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide?
The InChIKey is HZJJTFFWXKOWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O3S/c20-14-4-1-5-16(10-14)29(27,28)25-8-2-3-13(12-25)9-19(26)24-23-18-7-6-15(21)11-17(18)22/h1,4-7,10-11,13,23H,2-3,8-9,12H2,(H,24,26).
What are the key properties of 2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide?
2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide has a molecular weight of 476.81 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide is sourced from PubChem (CID 24960427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).