5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide

C16H10ClN3O2S — CID 142129816

IUPAC5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide
SMILESN#Cc1cccc(SNNC(=O)c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C16H10ClN3O2S/c17-12-4-5-14-11(7-12)8-15(22-14)16(21)19-20-23-13-3-1-2-10(6-13)9-18/h1-8,20H,(H,19,21)
InChIKeySIJOLKGWYAIJGA-UHFFFAOYSA-N
MW343.80 g/mol
LogP3.90
Rot. Bonds4

About 5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide

5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide (PubChem CID 142129816) has the molecular formula C16H10ClN3O2S and a molecular weight of 343.80 g/mol. Its IUPAC name is 5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide
PubChem CID142129816
Molecular FormulaC16H10ClN3O2S
Molecular Weight343.80 g/mol
Exact Mass343.02
IUPAC Name5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide
SMILESN#Cc1cccc(SNNC(=O)c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C16H10ClN3O2S/c17-12-4-5-14-11(7-12)8-15(22-14)16(21)19-20-23-13-3-1-2-10(6-13)9-18/h1-8,20H,(H,19,21)
InChIKeySIJOLKGWYAIJGA-UHFFFAOYSA-N
XLogP3.90
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide (CID 142129816) is 5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide is N#Cc1cccc(SNNC(=O)c2cc3cc(Cl)ccc3o2)c1.
What is the InChIKey of 5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide?
The InChIKey is SIJOLKGWYAIJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O2S/c17-12-4-5-14-11(7-12)8-15(22-14)16(21)19-20-23-13-3-1-2-10(6-13)9-18/h1-8,20H,(H,19,21).
What are the key properties of 5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide?
5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide has a molecular weight of 343.80 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 142129816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).