N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide

C18H18BrN3O5S — CID 39878344

IUPACN'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O5S/c19-14-7-5-13(6-8-14)17(23)20-21-18(24)15-3-1-2-4-16(15)28(25,26)22-9-11-27-12-10-22/h1-8H,9-12H2,(H,20,23)(H,21,24)
InChIKeySZEQNOMNYNYIIS-UHFFFAOYSA-N
MW468.33 g/mol
LogP1.54
Rot. Bonds4

About N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide

N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 39878344) has the molecular formula C18H18BrN3O5S and a molecular weight of 468.33 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID39878344
Molecular FormulaC18H18BrN3O5S
Molecular Weight468.33 g/mol
Exact Mass467.02
IUPAC NameN'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O5S/c19-14-7-5-13(6-8-14)17(23)20-21-18(24)15-3-1-2-4-16(15)28(25,26)22-9-11-27-12-10-22/h1-8H,9-12H2,(H,20,23)(H,21,24)
InChIKeySZEQNOMNYNYIIS-UHFFFAOYSA-N
XLogP1.54
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.33
LogP ≤ 51.54
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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Related Compounds

2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24640878
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 39888374
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39892592
2-[(4-bromo-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 1378927
N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119407704
(2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402696
4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229583
2-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 39944232
N-(5-fluoro-2-pyridinyl)-2-morpholin-4-ylsulfonylbenzamide
CID 52871230

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide (CID 39878344) is N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide is O=C(NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is SZEQNOMNYNYIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O5S/c19-14-7-5-13(6-8-14)17(23)20-21-18(24)15-3-1-2-4-16(15)28(25,26)22-9-11-27-12-10-22/h1-8H,9-12H2,(H,20,23)(H,21,24).
What are the key properties of N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide?
N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 468.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 39878344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).