N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide

C19H22ClN3O5S2 — CID 1472594

IUPACN'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22ClN3O5S2/c1-14-2-6-18(7-3-14)30(27,28)23-12-10-15(11-13-23)19(24)21-22-29(25,26)17-8-4-16(20)5-9-17/h2-9,15,22H,10-13H2,1H3,(H,21,24)
InChIKeyRZCUTMNPKUGACX-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.06
Rot. Bonds6

About N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide

N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 1472594) has the molecular formula C19H22ClN3O5S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID1472594
Molecular FormulaC19H22ClN3O5S2
Molecular Weight471.99 g/mol
Exact Mass471.07
IUPAC NameN'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22ClN3O5S2/c1-14-2-6-18(7-3-14)30(27,28)23-12-10-15(11-13-23)19(24)21-22-29(25,26)17-8-4-16(20)5-9-17/h2-9,15,22H,10-13H2,1H3,(H,21,24)
InChIKeyRZCUTMNPKUGACX-UHFFFAOYSA-N
XLogP2.06
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide (CID 1472594) is N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is RZCUTMNPKUGACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S2/c1-14-2-6-18(7-3-14)30(27,28)23-12-10-15(11-13-23)19(24)21-22-29(25,26)17-8-4-16(20)5-9-17/h2-9,15,22H,10-13H2,1H3,(H,21,24).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide?
N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 471.99 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 1472594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).