N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide

C14H12FN3O5S2 — CID 134096706

IUPACN'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide
SMILESO=C(CSc1ccccc1[N+](=O)[O-])NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O5S2/c15-10-5-7-11(8-6-10)25(22,23)17-16-14(19)9-24-13-4-2-1-3-12(13)18(20)21/h1-8,17H,9H2,(H,16,19)
InChIKeySOHWAMSGVWXFGS-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.84
Rot. Bonds7

About N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide

N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide (PubChem CID 134096706) has the molecular formula C14H12FN3O5S2 and a molecular weight of 385.40 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide
PubChem CID134096706
Molecular FormulaC14H12FN3O5S2
Molecular Weight385.40 g/mol
Exact Mass385.02
IUPAC NameN'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide
SMILESO=C(CSc1ccccc1[N+](=O)[O-])NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O5S2/c15-10-5-7-11(8-6-10)25(22,23)17-16-14(19)9-24-13-4-2-1-3-12(13)18(20)21/h1-8,17H,9H2,(H,16,19)
InChIKeySOHWAMSGVWXFGS-UHFFFAOYSA-N
XLogP1.84
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(2-nitrophenyl)sulfanyl-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide
CID 2818604
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate
CID 7992120
1-(2-nitrophenyl)sulfanylpropan-2-one
CID 822986
1-(4-fluorophenyl)-3-(2-nitrophenyl)sulfanylpropan-1-one
CID 43793891
1-(5-fluoro-2-hydroxyphenyl)-2-(2-nitrophenyl)sulfanylethanone
CID 43801526
1-(3,4-difluorophenyl)-2-(2-nitrophenyl)sulfanylethanone
CID 43801566
2-(2-nitrophenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone
CID 43801544
2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide
CID 8823013
3,4,5-trimethoxy-N'-[2-(2-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 4095429
2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068049
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate
CID 7992163
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide (CID 134096706) is N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide is O=C(CSc1ccccc1[N+](=O)[O-])NNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide?
The InChIKey is SOHWAMSGVWXFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O5S2/c15-10-5-7-11(8-6-10)25(22,23)17-16-14(19)9-24-13-4-2-1-3-12(13)18(20)21/h1-8,17H,9H2,(H,16,19).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide?
N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide has a molecular weight of 385.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-2-(2-nitrophenyl)sulfanylacetohydrazide is sourced from PubChem (CID 134096706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).