N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide

C19H18ClN3O5S — CID 4848882

IUPACN'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O5S/c1-13(28-16-6-2-14(12-21)3-7-16)19(25)23-22-18(24)10-11-29(26,27)17-8-4-15(20)5-9-17/h2-9,13H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyATQABCSMWOECDR-UHFFFAOYSA-N
MW435.89 g/mol
LogP1.99
Rot. Bonds7

About N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide

N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide (PubChem CID 4848882) has the molecular formula C19H18ClN3O5S and a molecular weight of 435.89 g/mol. Its IUPAC name is N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide
PubChem CID4848882
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.89 g/mol
Exact Mass435.07
IUPAC NameN'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O5S/c1-13(28-16-6-2-14(12-21)3-7-16)19(25)23-22-18(24)10-11-29(26,27)17-8-4-15(20)5-9-17/h2-9,13H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyATQABCSMWOECDR-UHFFFAOYSA-N
XLogP1.99
TPSA125.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43005498
3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 26665455
N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298420
(4-cyanophenyl) (2R)-2-(4-chlorophenoxy)propanoate
CID 7913075
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
N-(5-chloro-2-pyridinyl)-2-(4-cyanophenoxy)propanamide
CID 51140376
N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide
CID 4791447
(2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide
CID 9238081
N'-[(2R)-2-(4-cyanophenoxy)propanoyl]pyridine-4-carbohydrazide
CID 51543869
2-(4-cyanophenoxy)-N-propan-2-ylsulfonylpropanamide
CID 47458561
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-cyanophenoxy)propanehydrazide
CID 4855794
2-(4-chlorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977951

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide?
The IUPAC name of N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide (CID 4848882) is N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide.
What is the SMILES notation for N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide?
The canonical SMILES for N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide is CC(Oc1ccc(C#N)cc1)C(=O)NNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide?
The InChIKey is ATQABCSMWOECDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S/c1-13(28-16-6-2-14(12-21)3-7-16)19(25)23-22-18(24)10-11-29(26,27)17-8-4-15(20)5-9-17/h2-9,13H,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide?
N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide has a molecular weight of 435.89 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide is sourced from PubChem (CID 4848882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).