N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide

C17H15FN2O4S — CID 142129766

IUPACN'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide
SMILESCOc1c(C(=O)NNSc2ccc(F)cc2)oc2c(OC)cccc12
InChIInChI=1S/C17H15FN2O4S/c1-22-13-5-3-4-12-14(13)24-16(15(12)23-2)17(21)19-20-25-11-8-6-10(18)7-9-11/h3-9,20H,1-2H3,(H,19,21)
InChIKeyPSHGDRQPSKHYLK-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.53
Rot. Bonds6

About N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide

N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide (PubChem CID 142129766) has the molecular formula C17H15FN2O4S and a molecular weight of 362.38 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide
PubChem CID142129766
Molecular FormulaC17H15FN2O4S
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC NameN'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide
SMILESCOc1c(C(=O)NNSc2ccc(F)cc2)oc2c(OC)cccc12
InChIInChI=1S/C17H15FN2O4S/c1-22-13-5-3-4-12-14(13)24-16(15(12)23-2)17(21)19-20-25-11-8-6-10(18)7-9-11/h3-9,20H,1-2H3,(H,19,21)
InChIKeyPSHGDRQPSKHYLK-UHFFFAOYSA-N
XLogP3.53
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide (CID 142129766) is N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide is COc1c(C(=O)NNSc2ccc(F)cc2)oc2c(OC)cccc12.
What is the InChIKey of N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide?
The InChIKey is PSHGDRQPSKHYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S/c1-22-13-5-3-4-12-14(13)24-16(15(12)23-2)17(21)19-20-25-11-8-6-10(18)7-9-11/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide?
N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide has a molecular weight of 362.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfanyl-3,7-dimethoxy-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 142129766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).