N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide

C20H22FN3O7S — CID 2445888

IUPACN'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1
InChIInChI=1S/C20H22FN3O7S/c1-29-14-9-13(10-15(11-14)30-2)19(25)22-23-20(26)17-12-16(3-4-18(17)21)32(27,28)24-5-7-31-8-6-24/h3-4,9-12H,5-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDITYEFMWGCXPHV-UHFFFAOYSA-N
MW467.48 g/mol
LogP0.94
Rot. Bonds6

About N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide

N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2445888) has the molecular formula C20H22FN3O7S and a molecular weight of 467.48 g/mol. Its IUPAC name is N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2445888
Molecular FormulaC20H22FN3O7S
Molecular Weight467.48 g/mol
Exact Mass467.12
IUPAC NameN'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1
InChIInChI=1S/C20H22FN3O7S/c1-29-14-9-13(10-15(11-14)30-2)19(25)22-23-20(26)17-12-16(3-4-18(17)21)32(27,28)24-5-7-31-8-6-24/h3-4,9-12H,5-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDITYEFMWGCXPHV-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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Related Compounds

4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528547
4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2545591
3,5-dimethoxy-N-(morpholin-4-yl)benzamide
CID 4215570
N'-(benzenesulfonyl)-2-fluoro-5-propan-2-yloxybenzohydrazide
CID 124132116
N'-(benzenesulfonyl)-2-fluoro-5-prop-2-enoxybenzohydrazide
CID 124132119
N'-(benzenesulfonyl)-5-ethoxy-2-fluorobenzohydrazide
CID 124132131
N'-(2-fluorophenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide
CID 124132177
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propoxybenzohydrazide
CID 124132208
3-ethoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 124132210
N'-(2-fluorophenyl)sulfonyl-3-propan-2-yloxybenzohydrazide
CID 124132213
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide
CID 135298590
N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide
CID 135298599

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide (CID 2445888) is N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1.
What is the InChIKey of N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is DITYEFMWGCXPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O7S/c1-29-14-9-13(10-15(11-14)30-2)19(25)22-23-20(26)17-12-16(3-4-18(17)21)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)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide?
N'-(3,5-dimethoxybenzoyl)-2-fluoro-5-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)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2445888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).