N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide

C14H12F2N2O5S2 — CID 146673643

IUPACN',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12F2N2O5S2/c15-10-1-5-12(6-2-10)24(20,21)9-14(19)17-18-25(22,23)13-7-3-11(16)4-8-13/h1-8,18H,9H2,(H,17,19)
InChIKeyAGLKEXZECVZXSI-UHFFFAOYSA-N
MW390.39 g/mol
LogP0.75
Rot. Bonds6

About N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide

N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide (PubChem CID 146673643) has the molecular formula C14H12F2N2O5S2 and a molecular weight of 390.39 g/mol. Its IUPAC name is N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide.

Molecular Properties

Compound NameN',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide
PubChem CID146673643
Molecular FormulaC14H12F2N2O5S2
Molecular Weight390.39 g/mol
Exact Mass390.02
IUPAC NameN',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12F2N2O5S2/c15-10-1-5-12(6-2-10)24(20,21)9-14(19)17-18-25(22,23)13-7-3-11(16)4-8-13/h1-8,18H,9H2,(H,17,19)
InChIKeyAGLKEXZECVZXSI-UHFFFAOYSA-N
XLogP0.75
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide?
The IUPAC name of N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide (CID 146673643) is N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide.
What is the SMILES notation for N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide?
The canonical SMILES for N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide is O=C(CS(=O)(=O)c1ccc(F)cc1)NNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide?
The InChIKey is AGLKEXZECVZXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O5S2/c15-10-1-5-12(6-2-10)24(20,21)9-14(19)17-18-25(22,23)13-7-3-11(16)4-8-13/h1-8,18H,9H2,(H,17,19).
What are the key properties of N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide?
N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide has a molecular weight of 390.39 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-bis[(4-fluorophenyl)sulfonyl]acetohydrazide is sourced from PubChem (CID 146673643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).