N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide

C16H14FN3O4S — CID 7969929

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide
SMILESCc1cc(C(=O)NNC(=O)CSc2ccccc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H14FN3O4S/c1-10-8-11(6-7-13(10)20(23)24)16(22)19-18-15(21)9-25-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyGPUHCNZJMCDVEE-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.60
Rot. Bonds5

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide (PubChem CID 7969929) has the molecular formula C16H14FN3O4S and a molecular weight of 363.37 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide
PubChem CID7969929
Molecular FormulaC16H14FN3O4S
Molecular Weight363.37 g/mol
Exact Mass363.07
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide
SMILESCc1cc(C(=O)NNC(=O)CSc2ccccc2F)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H14FN3O4S/c1-10-8-11(6-7-13(10)20(23)24)16(22)19-18-15(21)9-25-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyGPUHCNZJMCDVEE-UHFFFAOYSA-N
XLogP2.60
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 9091346
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide
CID 9417975
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194
3,4,5-trimethoxy-N'-[2-(2-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 4095429
3-methyl-4-nitro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16962409
N'-(4-bromobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 4811360
4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7780155
N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide
CID 27006547
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-4-nitrobenzohydrazide
CID 4811497

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide (CID 7969929) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide is Cc1cc(C(=O)NNC(=O)CSc2ccccc2F)ccc1[N+](=O)[O-].
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide?
The InChIKey is GPUHCNZJMCDVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S/c1-10-8-11(6-7-13(10)20(23)24)16(22)19-18-15(21)9-25-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide has a molecular weight of 363.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide is sourced from PubChem (CID 7969929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).