4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide

C20H23N3O4S — CID 2439280

IUPAC4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-15-5-7-16(8-6-15)19(24)21-22-20(25)17-9-11-18(12-10-17)28(26,27)23-13-3-2-4-14-23/h5-12H,2-4,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyOFNURCFVFMCTGH-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.24
Rot. Bonds4

About 4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide

4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 2439280) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
PubChem CID2439280
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-15-5-7-16(8-6-15)19(24)21-22-20(25)17-9-11-18(12-10-17)28(26,27)23-13-3-2-4-14-23/h5-12H,2-4,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyOFNURCFVFMCTGH-UHFFFAOYSA-N
XLogP2.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide (CID 2439280) is 4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is OFNURCFVFMCTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15-5-7-16(8-6-15)19(24)21-22-20(25)17-9-11-18(12-10-17)28(26,27)23-13-3-2-4-14-23/h5-12H,2-4,13-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide?
4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 401.49 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 2439280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).