N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide

C15H10ClFN2O4S — CID 91148350

IUPACN'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(F)cc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C15H10ClFN2O4S/c16-10-6-11(17)8-12(7-10)24(21,22)19-18-15(20)14-5-9-3-1-2-4-13(9)23-14/h1-8,19H,(H,18,20)
InChIKeySQXYFJMSNWQEBO-UHFFFAOYSA-N
MW368.77 g/mol
LogP2.85
Rot. Bonds4

About N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide

N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide (PubChem CID 91148350) has the molecular formula C15H10ClFN2O4S and a molecular weight of 368.77 g/mol. Its IUPAC name is N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide
PubChem CID91148350
Molecular FormulaC15H10ClFN2O4S
Molecular Weight368.77 g/mol
Exact Mass368.00
IUPAC NameN'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(F)cc(Cl)c1)c1cc2ccccc2o1
InChIInChI=1S/C15H10ClFN2O4S/c16-10-6-11(17)8-12(7-10)24(21,22)19-18-15(20)14-5-9-3-1-2-4-13(9)23-14/h1-8,19H,(H,18,20)
InChIKeySQXYFJMSNWQEBO-UHFFFAOYSA-N
XLogP2.85
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide (CID 91148350) is N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide is O=C(NNS(=O)(=O)c1cc(F)cc(Cl)c1)c1cc2ccccc2o1.
What is the InChIKey of N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The InChIKey is SQXYFJMSNWQEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O4S/c16-10-6-11(17)8-12(7-10)24(21,22)19-18-15(20)14-5-9-3-1-2-4-13(9)23-14/h1-8,19H,(H,18,20).
What are the key properties of N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide has a molecular weight of 368.77 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-5-fluorophenyl)sulfonyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 91148350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).