N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide

C14H10ClF3N2O3S — CID 7744024

IUPACN'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide
SMILESO=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccco1
InChIInChI=1S/C14H10ClF3N2O3S/c15-10-4-3-8(6-9(10)14(16,17)18)24-7-12(21)19-20-13(22)11-2-1-5-23-11/h1-6H,7H2,(H,19,21)(H,20,22)
InChIKeyUHDJCHDCNBLLOP-UHFFFAOYSA-N
MW378.76 g/mol
LogP3.51
Rot. Bonds4

About N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide

N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 7744024) has the molecular formula C14H10ClF3N2O3S and a molecular weight of 378.76 g/mol. Its IUPAC name is N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide
PubChem CID7744024
Molecular FormulaC14H10ClF3N2O3S
Molecular Weight378.76 g/mol
Exact Mass378.01
IUPAC NameN'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide
SMILESO=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccco1
InChIInChI=1S/C14H10ClF3N2O3S/c15-10-4-3-8(6-9(10)14(16,17)18)24-7-12(21)19-20-13(22)11-2-1-5-23-11/h1-6H,7H2,(H,19,21)(H,20,22)
InChIKeyUHDJCHDCNBLLOP-UHFFFAOYSA-N
XLogP3.51
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.76
LogP ≤ 53.51
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-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide (CID 7744024) is N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide is O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is UHDJCHDCNBLLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O3S/c15-10-4-3-8(6-9(10)14(16,17)18)24-7-12(21)19-20-13(22)11-2-1-5-23-11/h1-6H,7H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 378.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 7744024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).