N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide

C17H17ClN2O5S — CID 9470201

IUPACN'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O5S/c1-11-7-8-12(26(2,23)24)9-13(11)17(22)20-19-16(21)10-25-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPKBZVTVTCFRIPM-UHFFFAOYSA-N
MW396.85 g/mol
LogP1.89
Rot. Bonds5

About N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide

N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide (PubChem CID 9470201) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide
PubChem CID9470201
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O5S/c1-11-7-8-12(26(2,23)24)9-13(11)17(22)20-19-16(21)10-25-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPKBZVTVTCFRIPM-UHFFFAOYSA-N
XLogP1.89
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 51.89
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

3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7978237
4-chloro-N,N-diethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2478232
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 27567260
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 24641183
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909280
4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2594382
N'-[2-(2-chlorophenoxy)acetyl]-5-methylfuran-2-carbohydrazide
CID 17467699
N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929148
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 7601132
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314043

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide (CID 9470201) is N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide?
The InChIKey is PKBZVTVTCFRIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-11-7-8-12(26(2,23)24)9-13(11)17(22)20-19-16(21)10-25-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide has a molecular weight of 396.85 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide is sourced from PubChem (CID 9470201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).