N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide

C20H22FN3O7S — CID 2539178

IUPACN'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H22FN3O7S/c1-29-15-9-14(10-16(12-15)30-2)20(26)23-22-19(25)13-3-4-17(21)18(11-13)32(27,28)24-5-7-31-8-6-24/h3-4,9-12H,5-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUYFSMUZHOUVNTC-UHFFFAOYSA-N
MW467.48 g/mol
LogP0.94
Rot. Bonds6

About N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide

N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2539178) has the molecular formula C20H22FN3O7S and a molecular weight of 467.48 g/mol. Its IUPAC name is N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2539178
Molecular FormulaC20H22FN3O7S
Molecular Weight467.48 g/mol
Exact Mass467.12
IUPAC NameN'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H22FN3O7S/c1-29-15-9-14(10-16(12-15)30-2)20(26)23-22-19(25)13-3-4-17(21)18(11-13)32(27,28)24-5-7-31-8-6-24/h3-4,9-12H,5-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUYFSMUZHOUVNTC-UHFFFAOYSA-N
XLogP0.94
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2539178) is N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is UYFSMUZHOUVNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O7S/c1-29-15-9-14(10-16(12-15)30-2)20(26)23-22-19(25)13-3-4-17(21)18(11-13)32(27,28)24-5-7-31-8-6-24/h3-4,9-12H,5-8H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 467.48 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2539178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).