4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide

C19H19F2N3O6S — CID 2545591

IUPAC4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19F2N3O6S/c20-14-3-1-2-4-16(14)30-12-18(25)22-23-19(26)13-5-6-15(21)17(11-13)31(27,28)24-7-9-29-10-8-24/h1-6,11H,7-10,12H2,(H,22,25)(H,23,26)
InChIKeyBBAUKNFSDOIVRL-UHFFFAOYSA-N
MW455.44 g/mol
LogP0.83
Rot. Bonds6

About 4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide

4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2545591) has the molecular formula C19H19F2N3O6S and a molecular weight of 455.44 g/mol. Its IUPAC name is 4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2545591
Molecular FormulaC19H19F2N3O6S
Molecular Weight455.44 g/mol
Exact Mass455.10
IUPAC Name4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H19F2N3O6S/c20-14-3-1-2-4-16(14)30-12-18(25)22-23-19(26)13-5-6-15(21)17(11-13)31(27,28)24-7-9-29-10-8-24/h1-6,11H,7-10,12H2,(H,22,25)(H,23,26)
InChIKeyBBAUKNFSDOIVRL-UHFFFAOYSA-N
XLogP0.83
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528547
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
4-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamoyl]-N,N-diethylbenzenesulfonamide
CID 4875542
N'-(benzenesulfonyl)-2-fluoro-5-propan-2-yloxybenzohydrazide
CID 124132116
N'-(benzenesulfonyl)-2-fluoro-5-prop-2-enoxybenzohydrazide
CID 124132119
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-prop-2-enoxybenzohydrazide
CID 124132126
N'-(2-fluorophenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide
CID 124132177
3-(cyclopropylmethoxy)-5-fluoro-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 124132196
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propoxybenzohydrazide
CID 124132208
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 4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2545591) is 4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide is O=C(COc1ccccc1F)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is BBAUKNFSDOIVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O6S/c20-14-3-1-2-4-16(14)30-12-18(25)22-23-19(26)13-5-6-15(21)17(11-13)31(27,28)24-7-9-29-10-8-24/h1-6,11H,7-10,12H2,(H,22,25)(H,23,26).
What are the key properties of 4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 455.44 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2545591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).