N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide

C17H16Cl2N2O5S — CID 46453867

IUPACN'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H16Cl2N2O5S/c1-10(26-14-5-3-4-13(18)15(14)19)16(22)20-21-17(23)11-6-8-12(9-7-11)27(2,24)25/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyYKOUBPNIHNSAET-UHFFFAOYSA-N
MW431.30 g/mol
LogP2.63
Rot. Bonds5

About N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide

N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide (PubChem CID 46453867) has the molecular formula C17H16Cl2N2O5S and a molecular weight of 431.30 g/mol. Its IUPAC name is N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
PubChem CID46453867
Molecular FormulaC17H16Cl2N2O5S
Molecular Weight431.30 g/mol
Exact Mass430.02
IUPAC NameN'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H16Cl2N2O5S/c1-10(26-14-5-3-4-13(18)15(14)19)16(22)20-21-17(23)11-6-8-12(9-7-11)27(2,24)25/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyYKOUBPNIHNSAET-UHFFFAOYSA-N
XLogP2.63
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 52.63
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'-[2-(2-fluorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide
CID 43003714
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
4-[[[(2R)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 7761024
N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4932285
N-[3-methyl-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 55675733
(2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
CID 39882116
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
4-chloro-N-[(2S)-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 34963656
N'-[2-(2,4-dichlorophenoxy)propanoyl]-4-propan-2-ylbenzohydrazide
CID 17177533
4-chloro-3-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 26011408
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide?
The IUPAC name of N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide (CID 46453867) is N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide is CC(Oc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide?
The InChIKey is YKOUBPNIHNSAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5S/c1-10(26-14-5-3-4-13(18)15(14)19)16(22)20-21-17(23)11-6-8-12(9-7-11)27(2,24)25/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide?
N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide has a molecular weight of 431.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylsulfonylbenzohydrazide is sourced from PubChem (CID 46453867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).