N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide

C16H13FN2O5S — CID 59980822

IUPACN'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide
SMILESCOc1cccc2cc(C(=O)NNS(=O)(=O)c3cccc(F)c3)oc12
InChIInChI=1S/C16H13FN2O5S/c1-23-13-7-2-4-10-8-14(24-15(10)13)16(20)18-19-25(21,22)12-6-3-5-11(17)9-12/h2-9,19H,1H3,(H,18,20)
InChIKeyRLKSEWHNNILEKB-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.20
Rot. Bonds5

About N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide

N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide (PubChem CID 59980822) has the molecular formula C16H13FN2O5S and a molecular weight of 364.35 g/mol. Its IUPAC name is N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide
PubChem CID59980822
Molecular FormulaC16H13FN2O5S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC NameN'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide
SMILESCOc1cccc2cc(C(=O)NNS(=O)(=O)c3cccc(F)c3)oc12
InChIInChI=1S/C16H13FN2O5S/c1-23-13-7-2-4-10-8-14(24-15(10)13)16(20)18-19-25(21,22)12-6-3-5-11(17)9-12/h2-9,19H,1H3,(H,18,20)
InChIKeyRLKSEWHNNILEKB-UHFFFAOYSA-N
XLogP2.20
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.20
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'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide (CID 59980822) is N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide is COc1cccc2cc(C(=O)NNS(=O)(=O)c3cccc(F)c3)oc12.
What is the InChIKey of N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide?
The InChIKey is RLKSEWHNNILEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O5S/c1-23-13-7-2-4-10-8-14(24-15(10)13)16(20)18-19-25(21,22)12-6-3-5-11(17)9-12/h2-9,19H,1H3,(H,18,20).
What are the key properties of N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide?
N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide has a molecular weight of 364.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)sulfonyl-7-methoxy-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 59980822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).