N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide

C17H16Cl2N2O4S2 — CID 24641183

IUPACN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O4S2/c1-10-3-5-12(27(2,24)25)8-13(10)17(23)21-20-16(22)9-26-15-7-11(18)4-6-14(15)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOGATWNLPORJDRC-UHFFFAOYSA-N
MW447.37 g/mol
LogP3.26
Rot. Bonds5

About N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide

N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide (PubChem CID 24641183) has the molecular formula C17H16Cl2N2O4S2 and a molecular weight of 447.37 g/mol. Its IUPAC name is N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide
PubChem CID24641183
Molecular FormulaC17H16Cl2N2O4S2
Molecular Weight447.37 g/mol
Exact Mass445.99
IUPAC NameN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O4S2/c1-10-3-5-12(27(2,24)25)8-13(10)17(23)21-20-16(22)9-26-15-7-11(18)4-6-14(15)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOGATWNLPORJDRC-UHFFFAOYSA-N
XLogP3.26
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 53.26
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-(2,5-dichlorophenyl)sulfanylacetyl]amino]carbamoyl]-N,N,4-trimethylbenzenesulfonamide
CID 22108686
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
CID 9091295
2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
CID 24641126
N'-[2-(2-chlorophenoxy)acetyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 9470201
2-(2,5-dichlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35352252
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 24609308
5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
CID 9472212
N'-[2-(4-chloro-2,6-dimethylphenoxy)propanoyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 42910027
5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
CID 24641131
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide?
The IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide (CID 24641183) is N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide?
The InChIKey is OGATWNLPORJDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4S2/c1-10-3-5-12(27(2,24)25)8-13(10)17(23)21-20-16(22)9-26-15-7-11(18)4-6-14(15)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide?
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide has a molecular weight of 447.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide is sourced from PubChem (CID 24641183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).