N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide

C22H26FN3O5S — CID 24634964

IUPACN'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H26FN3O5S/c1-22(2,3)17-7-4-15(5-8-17)20(27)24-25-21(28)16-6-9-18(23)19(14-16)32(29,30)26-10-12-31-13-11-26/h4-9,14H,10-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXQDRWJAOCYMOHK-UHFFFAOYSA-N
MW463.53 g/mol
LogP2.22
Rot. Bonds4

About N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide

N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 24634964) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID24634964
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC NameN'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H26FN3O5S/c1-22(2,3)17-7-4-15(5-8-17)20(27)24-25-21(28)16-6-9-18(23)19(14-16)32(29,30)26-10-12-31-13-11-26/h4-9,14H,10-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXQDRWJAOCYMOHK-UHFFFAOYSA-N
XLogP2.22
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 52.22
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

4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
[2-(4-tert-butylphenyl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16521348
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24816759
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
N-(1-adamantyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 7732505
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide (CID 24634964) is N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is XQDRWJAOCYMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c1-22(2,3)17-7-4-15(5-8-17)20(27)24-25-21(28)16-6-9-18(23)19(14-16)32(29,30)26-10-12-31-13-11-26/h4-9,14H,10-13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 463.53 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 24634964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).