N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide

C13H10FIN2O3S — CID 135298708

IUPACN'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(I)c1
InChIInChI=1S/C13H10FIN2O3S/c14-11-6-1-2-7-12(11)21(19,20)17-16-13(18)9-4-3-5-10(15)8-9/h1-8,17H,(H,16,18)
InChIKeyWRILZXKUOHKYFI-UHFFFAOYSA-N
MW420.20 g/mol
LogP2.05
Rot. Bonds4

About N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide (PubChem CID 135298708) has the molecular formula C13H10FIN2O3S and a molecular weight of 420.20 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide
PubChem CID135298708
Molecular FormulaC13H10FIN2O3S
Molecular Weight420.20 g/mol
Exact Mass419.94
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(I)c1
InChIInChI=1S/C13H10FIN2O3S/c14-11-6-1-2-7-12(11)21(19,20)17-16-13(18)9-4-3-5-10(15)8-9/h1-8,17H,(H,16,18)
InChIKeyWRILZXKUOHKYFI-UHFFFAOYSA-N
XLogP2.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide (CID 135298708) is N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(I)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide?
The InChIKey is WRILZXKUOHKYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIN2O3S/c14-11-6-1-2-7-12(11)21(19,20)17-16-13(18)9-4-3-5-10(15)8-9/h1-8,17H,(H,16,18).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide has a molecular weight of 420.20 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-iodobenzohydrazide is sourced from PubChem (CID 135298708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).