2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide

C12H10Cl2N2O2S — CID 55214856

IUPAC2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c13-7-1-2-9(14)11(5-7)19-6-10-8(3-4-18-10)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyNGEREZYSMZSMTC-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.48
Rot. Bonds4

About 2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide

2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 55214856) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID55214856
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c13-7-1-2-9(14)11(5-7)19-6-10-8(3-4-18-10)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyNGEREZYSMZSMTC-UHFFFAOYSA-N
XLogP3.48
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581577
2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580649
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-3-carboxylic acid
CID 79134512
2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 79533926
2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 79141494
4-[(2,5-dichlorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580050
2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide
CID 63574643
2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581538
3-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 79142522
2-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581132
2-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66228175
2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66233707

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide (CID 55214856) is 2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is NGEREZYSMZSMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-7-1-2-9(14)11(5-7)19-6-10-8(3-4-18-10)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 317.20 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 55214856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).