N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide

C18H20ClN3O5S2 — CID 1149731

IUPACN'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H20ClN3O5S2/c19-15-6-10-16(11-7-15)28(24,25)21-20-18(23)14-4-8-17(9-5-14)29(26,27)22-12-2-1-3-13-22/h4-11,21H,1-3,12-13H2,(H,20,23)
InChIKeyFXBRIDFVBPXDMF-UHFFFAOYSA-N
MW457.96 g/mol
LogP2.14
Rot. Bonds6

About N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide

N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 1149731) has the molecular formula C18H20ClN3O5S2 and a molecular weight of 457.96 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID1149731
Molecular FormulaC18H20ClN3O5S2
Molecular Weight457.96 g/mol
Exact Mass457.05
IUPAC NameN'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H20ClN3O5S2/c19-15-6-10-16(11-7-15)28(24,25)21-20-18(23)14-4-8-17(9-5-14)29(26,27)22-12-2-1-3-13-22/h4-11,21H,1-3,12-13H2,(H,20,23)
InChIKeyFXBRIDFVBPXDMF-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide (CID 1149731) is N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is FXBRIDFVBPXDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S2/c19-15-6-10-16(11-7-15)28(24,25)21-20-18(23)14-4-8-17(9-5-14)29(26,27)22-12-2-1-3-13-22/h4-11,21H,1-3,12-13H2,(H,20,23).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide?
N'-(4-chlorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 457.96 g/mol, XLogP of 2.14, 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-4-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 1149731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).