3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

C19H21N3O5S — CID 1146586

IUPAC3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H21N3O5S/c1-14-3-2-4-16(13-14)19(24)21-20-18(23)15-5-7-17(8-6-15)28(25,26)22-9-11-27-12-10-22/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyLOCAXMGQTOVWIA-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.09
Rot. Bonds4

About 3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 1146586) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
PubChem CID1146586
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H21N3O5S/c1-14-3-2-4-16(13-14)19(24)21-20-18(23)15-5-7-17(8-6-15)28(25,26)22-9-11-27-12-10-22/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyLOCAXMGQTOVWIA-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 3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (CID 1146586) is 3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is Cc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is LOCAXMGQTOVWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-14-3-2-4-16(13-14)19(24)21-20-18(23)15-5-7-17(8-6-15)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 3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide 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 3-methyl-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 1146586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).