1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide

C24H29ClN4O6S2 — CID 3192879

IUPAC1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H29ClN4O6S2/c25-20-6-10-22(11-7-20)37(34,35)29-16-12-19(13-17-29)24(31)27-26-23(30)18-4-8-21(9-5-18)36(32,33)28-14-2-1-3-15-28/h4-11,19H,1-3,12-17H2,(H,26,30)(H,27,31)
InChIKeyLXINDZIEMNVCHR-UHFFFAOYSA-N
MW569.11 g/mol
LogP2.38
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide

1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide (PubChem CID 3192879) has the molecular formula C24H29ClN4O6S2 and a molecular weight of 569.11 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
PubChem CID3192879
Molecular FormulaC24H29ClN4O6S2
Molecular Weight569.11 g/mol
Exact Mass568.12
IUPAC Name1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H29ClN4O6S2/c25-20-6-10-22(11-7-20)37(34,35)29-16-12-19(13-17-29)24(31)27-26-23(30)18-4-8-21(9-5-18)36(32,33)28-14-2-1-3-15-28/h4-11,19H,1-3,12-17H2,(H,26,30)(H,27,31)
InChIKeyLXINDZIEMNVCHR-UHFFFAOYSA-N
XLogP2.38
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.11
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
CID 55511757
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
CID 2666799
N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 7809293
N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27685918
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
CID 27745097
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide
CID 42952930
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide (CID 3192879) is 1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide?
The InChIKey is LXINDZIEMNVCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O6S2/c25-20-6-10-22(11-7-20)37(34,35)29-16-12-19(13-17-29)24(31)27-26-23(30)18-4-8-21(9-5-18)36(32,33)28-14-2-1-3-15-28/h4-11,19H,1-3,12-17H2,(H,26,30)(H,27,31).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide?
1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide has a molecular weight of 569.11 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 3192879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).