N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide

C19H21N3O4S — CID 2445760

IUPACN'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C19H21N3O4S/c23-18(15-8-3-1-4-9-15)20-21-19(24)16-10-7-11-17(14-16)27(25,26)22-12-5-2-6-13-22/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,20,23)(H,21,24)
InChIKeyBWUYBGYWRVZSTO-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.94
Rot. Bonds4

About N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide

N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 2445760) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID2445760
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C19H21N3O4S/c23-18(15-8-3-1-4-9-15)20-21-19(24)16-10-7-11-17(14-16)27(25,26)22-12-5-2-6-13-22/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,20,23)(H,21,24)
InChIKeyBWUYBGYWRVZSTO-UHFFFAOYSA-N
XLogP1.94
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.94
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 N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide (CID 2445760) is N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide is O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1.
What is the InChIKey of N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is BWUYBGYWRVZSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c23-18(15-8-3-1-4-9-15)20-21-19(24)16-10-7-11-17(14-16)27(25,26)22-12-5-2-6-13-22/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,20,23)(H,21,24).
What are the key properties of N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide?
N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 387.46 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2445760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).