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

C19H21N3O5S — CID 2358276

IUPACN'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H21N3O5S/c1-14-5-7-15(8-6-14)18(23)20-21-19(24)16-3-2-4-17(13-16)28(25,26)22-9-11-27-12-10-22/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,24)
InChIKeySJUJJSYTSODIQQ-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.09
Rot. Bonds4

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

N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2358276) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2358276
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H21N3O5S/c1-14-5-7-15(8-6-14)18(23)20-21-19(24)16-3-2-4-17(13-16)28(25,26)22-9-11-27-12-10-22/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,24)
InChIKeySJUJJSYTSODIQQ-UHFFFAOYSA-N
XLogP1.09
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.09
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-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2358276) is N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is SJUJJSYTSODIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-14-5-7-15(8-6-14)18(23)20-21-19(24)16-3-2-4-17(13-16)28(25,26)22-9-11-27-12-10-22/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 403.46 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2358276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).