(2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide

C16H13F2N3O4S — CID 9238081

IUPAC(2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3O4S/c1-10(25-13-5-2-11(9-19)3-6-13)16(22)20-21-26(23,24)15-8-12(17)4-7-14(15)18/h2-8,10,21H,1H3,(H,20,22)/t10-/m1/s1
InChIKeyZZEQUKMJYGRIHU-SNVBAGLBSA-N
MW381.36 g/mol
LogP1.61
Rot. Bonds6

About (2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide

(2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide (PubChem CID 9238081) has the molecular formula C16H13F2N3O4S and a molecular weight of 381.36 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide
PubChem CID9238081
Molecular FormulaC16H13F2N3O4S
Molecular Weight381.36 g/mol
Exact Mass381.06
IUPAC Name(2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3O4S/c1-10(25-13-5-2-11(9-19)3-6-13)16(22)20-21-26(23,24)15-8-12(17)4-7-14(15)18/h2-8,10,21H,1H3,(H,20,22)/t10-/m1/s1
InChIKeyZZEQUKMJYGRIHU-SNVBAGLBSA-N
XLogP1.61
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.61
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

N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide
CID 55353346
2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51158907
N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
CID 16548334
3-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]sulfamoyl]-4,5-dimethylbenzoate
CID 9238868
2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
CID 8614297
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855742
(2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
CID 8823276
(2R)-2-(4-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7503342
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide
CID 47458561
4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7818685
N-cyano-2-(4-fluorophenoxy)propanamide
CID 79193914

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide (CID 9238081) is (2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide?
The InChIKey is ZZEQUKMJYGRIHU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13F2N3O4S/c1-10(25-13-5-2-11(9-19)3-6-13)16(22)20-21-26(23,24)15-8-12(17)4-7-14(15)18/h2-8,10,21H,1H3,(H,20,22)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide?
(2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide has a molecular weight of 381.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 9238081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).