N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide

C17H13ClN2O3S — CID 9477026

IUPACN'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NNC(=O)c1ccco1
InChIInChI=1S/C17H13ClN2O3S/c18-12-6-1-4-11-5-2-8-14(16(11)12)24-10-15(21)19-20-17(22)13-7-3-9-23-13/h1-9H,10H2,(H,19,21)(H,20,22)
InChIKeyVVZUKLFZOVQCJP-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.64
Rot. Bonds4

About N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide

N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 9477026) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide
PubChem CID9477026
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC NameN'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NNC(=O)c1ccco1
InChIInChI=1S/C17H13ClN2O3S/c18-12-6-1-4-11-5-2-8-14(16(11)12)24-10-15(21)19-20-17(22)13-7-3-9-23-13/h1-9H,10H2,(H,19,21)(H,20,22)
InChIKeyVVZUKLFZOVQCJP-UHFFFAOYSA-N
XLogP3.64
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.64
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'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide (CID 9477026) is N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide is O=C(CSc1cccc2cccc(Cl)c12)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is VVZUKLFZOVQCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c18-12-6-1-4-11-5-2-8-14(16(11)12)24-10-15(21)19-20-17(22)13-7-3-9-23-13/h1-9H,10H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 360.82 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 9477026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).