N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide

C19H18N4O5S — CID 2577173

IUPACN'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESN#Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H18N4O5S/c20-13-14-4-6-15(7-5-14)18(24)21-22-19(25)16-2-1-3-17(12-16)29(26,27)23-8-10-28-11-9-23/h1-7,12H,8-11H2,(H,21,24)(H,22,25)
InChIKeyJDQRHEJHGISYMY-UHFFFAOYSA-N
MW414.44 g/mol
LogP0.65
Rot. Bonds4

About N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide

N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2577173) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2577173
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESN#Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H18N4O5S/c20-13-14-4-6-15(7-5-14)18(24)21-22-19(25)16-2-1-3-17(12-16)29(26,27)23-8-10-28-11-9-23/h1-7,12H,8-11H2,(H,21,24)(H,22,25)
InChIKeyJDQRHEJHGISYMY-UHFFFAOYSA-N
XLogP0.65
TPSA128.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2577173) is N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide is N#Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is JDQRHEJHGISYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c20-13-14-4-6-15(7-5-14)18(24)21-22-19(25)16-2-1-3-17(12-16)29(26,27)23-8-10-28-11-9-23/h1-7,12H,8-11H2,(H,21,24)(H,22,25).
What are the key properties of N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 414.44 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2577173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).