4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide

C15H14FN3O3S — CID 9164013

IUPAC4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide
SMILESCN(C)NC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14FN3O3S/c1-18(2)17-15(20)10-3-8-14(13(9-10)19(21)22)23-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,17,20)
InChIKeyRTSXGZBQUGQFID-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.09
Rot. Bonds5

About 4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide

4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide (PubChem CID 9164013) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide
PubChem CID9164013
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide
SMILESCN(C)NC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14FN3O3S/c1-18(2)17-15(20)10-3-8-14(13(9-10)19(21)22)23-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,17,20)
InChIKeyRTSXGZBQUGQFID-UHFFFAOYSA-N
XLogP3.09
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
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

N-[2-[ethyl(hydroxymethyl)amino]ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitrobenzamide
CID 139441213
N',N'-dimethyl-4-(3-methylbutylsulfanyl)-3-nitrobenzohydrazide
CID 9179517
4-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 8919383
[4-(4-fluorophenyl)sulfanyl-3-nitrophenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 4530606
4-(4-fluoro-2-nitrophenyl)sulfanylphenol
CID 54910892
N-(2-hydroxyethyl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide
CID 78783584
4-(4-methylphenyl)sulfanyl-3-nitrobenzoate
CID 6924354
[4-(4-fluorophenyl)sulfanyl-3-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 4564069
4-(4-chlorophenyl)sulfanyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-nitrobenzamide
CID 134039139
methyl 4-(4-iodophenyl)sulfanyl-3-nitrobenzoate
CID 91878029
4-(4-chlorophenyl)sulfanyl-N-cyclopropyl-3-nitrobenzamide
CID 9165629
N-(3-acetamidophenyl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide
CID 26584159

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide (CID 9164013) is 4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide is CN(C)NC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide?
The InChIKey is RTSXGZBQUGQFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-18(2)17-15(20)10-3-8-14(13(9-10)19(21)22)23-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H,17,20).
What are the key properties of 4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide?
4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide has a molecular weight of 335.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-N',N'-dimethyl-3-nitrobenzohydrazide is sourced from PubChem (CID 9164013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).