N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide

C18H20ClN3O5S2 — CID 1491553

IUPACN'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN3O5S2/c19-15-6-8-17(9-7-15)29(26,27)22-12-10-14(11-13-22)18(23)20-21-28(24,25)16-4-2-1-3-5-16/h1-9,14,21H,10-13H2,(H,20,23)
InChIKeyRJAQXQMPWGONEG-UHFFFAOYSA-N
MW457.96 g/mol
LogP1.75
Rot. Bonds6

About N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide

N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 1491553) has the molecular formula C18H20ClN3O5S2 and a molecular weight of 457.96 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID1491553
Molecular FormulaC18H20ClN3O5S2
Molecular Weight457.96 g/mol
Exact Mass457.05
IUPAC NameN'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN3O5S2/c19-15-6-8-17(9-7-15)29(26,27)22-12-10-14(11-13-22)18(23)20-21-28(24,25)16-4-2-1-3-5-16/h1-9,14,21H,10-13H2,(H,20,23)
InChIKeyRJAQXQMPWGONEG-UHFFFAOYSA-N
XLogP1.75
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide (CID 1491553) is N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is RJAQXQMPWGONEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S2/c19-15-6-8-17(9-7-15)29(26,27)22-12-10-14(11-13-22)18(23)20-21-28(24,25)16-4-2-1-3-5-16/h1-9,14,21H,10-13H2,(H,20,23).
What are the key properties of N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide?
N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 457.96 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 1491553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).