N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide

C16H13Cl2FN2O2S — CID 9091295

IUPACN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C16H13Cl2FN2O2S/c1-9-2-3-10(6-13(9)19)16(23)21-20-15(22)8-24-14-7-11(17)4-5-12(14)18/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyHVVIYXCRMAWPJE-UHFFFAOYSA-N
MW387.26 g/mol
LogP3.99
Rot. Bonds4

About N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide

N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide (PubChem CID 9091295) has the molecular formula C16H13Cl2FN2O2S and a molecular weight of 387.26 g/mol. Its IUPAC name is N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
PubChem CID9091295
Molecular FormulaC16H13Cl2FN2O2S
Molecular Weight387.26 g/mol
Exact Mass386.01
IUPAC NameN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C16H13Cl2FN2O2S/c1-9-2-3-10(6-13(9)19)16(23)21-20-15(22)8-24-14-7-11(17)4-5-12(14)18/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyHVVIYXCRMAWPJE-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 24641183
5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
CID 24641131
2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
CID 24641126
4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7780155
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
CID 24641200
3-[[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]carbamoyl]-N,N,4-trimethylbenzenesulfonamide
CID 22108686
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
CID 107128341
N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 24641164
5-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 9091346
N-[3-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 24641172
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide?
The IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide (CID 9091295) is N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)cc1F.
What is the InChIKey of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide?
The InChIKey is HVVIYXCRMAWPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O2S/c1-9-2-3-10(6-13(9)19)16(23)21-20-15(22)8-24-14-7-11(17)4-5-12(14)18/h2-7H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide?
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide has a molecular weight of 387.26 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide is sourced from PubChem (CID 9091295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).