N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide

C25H26N4O4S — CID 2445853

IUPACN'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C25H26N4O4S/c1-19-10-12-20(13-11-19)24(30)26-27-25(31)21-6-5-9-23(18-21)34(32,33)29-16-14-28(15-17-29)22-7-3-2-4-8-22/h2-13,18H,14-17H2,1H3,(H,26,30)(H,27,31)
InChIKeyUHIAOGDLZSPRDP-UHFFFAOYSA-N
MW478.57 g/mol
LogP2.58
Rot. Bonds5

About N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide

N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide (PubChem CID 2445853) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide
PubChem CID2445853
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C25H26N4O4S/c1-19-10-12-20(13-11-19)24(30)26-27-25(31)21-6-5-9-23(18-21)34(32,33)29-16-14-28(15-17-29)22-7-3-2-4-8-22/h2-13,18H,14-17H2,1H3,(H,26,30)(H,27,31)
InChIKeyUHIAOGDLZSPRDP-UHFFFAOYSA-N
XLogP2.58
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 52.58
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-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide (CID 2445853) is N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide?
The InChIKey is UHIAOGDLZSPRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-19-10-12-20(13-11-19)24(30)26-27-25(31)21-6-5-9-23(18-21)34(32,33)29-16-14-28(15-17-29)22-7-3-2-4-8-22/h2-13,18H,14-17H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide?
N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide has a molecular weight of 478.57 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 2445853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).