N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide

C18H21N3O5S2 — CID 1472595

IUPACN',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H21N3O5S2/c22-18(19-20-27(23,24)16-7-3-1-4-8-16)15-11-13-21(14-12-15)28(25,26)17-9-5-2-6-10-17/h1-10,15,20H,11-14H2,(H,19,22)
InChIKeyODKJNDZJSUHIOT-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.10
Rot. Bonds6

About N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide

N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide (PubChem CID 1472595) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide
PubChem CID1472595
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC NameN',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H21N3O5S2/c22-18(19-20-27(23,24)16-7-3-1-4-8-16)15-11-13-21(14-12-15)28(25,26)17-9-5-2-6-10-17/h1-10,15,20H,11-14H2,(H,19,22)
InChIKeyODKJNDZJSUHIOT-UHFFFAOYSA-N
XLogP1.10
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.10
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',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide?
The IUPAC name of N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide (CID 1472595) is N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide?
The canonical SMILES for N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide?
The InChIKey is ODKJNDZJSUHIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c22-18(19-20-27(23,24)16-7-3-1-4-8-16)15-11-13-21(14-12-15)28(25,26)17-9-5-2-6-10-17/h1-10,15,20H,11-14H2,(H,19,22).
What are the key properties of N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide?
N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide has a molecular weight of 423.52 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',1-bis(benzenesulfonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 1472595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).