1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine

C17H18ClFN2S — CID 144933230

IUPAC1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(C2CC2)c1CSc1cc(Cl)ccc1F
InChIInChI=1S/C17H18ClFN2S/c1-21(20)16-4-2-3-13(11-5-6-11)14(16)10-22-17-9-12(18)7-8-15(17)19/h2-4,7-9,11H,5-6,10,20H2,1H3
InChIKeyQXNOZVTXHSJTJL-UHFFFAOYSA-N
MW336.86 g/mol
LogP4.96
Rot. Bonds5

About 1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine

1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine (PubChem CID 144933230) has the molecular formula C17H18ClFN2S and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine
PubChem CID144933230
Molecular FormulaC17H18ClFN2S
Molecular Weight336.86 g/mol
Exact Mass336.09
IUPAC Name1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(C2CC2)c1CSc1cc(Cl)ccc1F
InChIInChI=1S/C17H18ClFN2S/c1-21(20)16-4-2-3-13(11-5-6-11)14(16)10-22-17-9-12(18)7-8-15(17)19/h2-4,7-9,11H,5-6,10,20H2,1H3
InChIKeyQXNOZVTXHSJTJL-UHFFFAOYSA-N
XLogP4.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine (CID 144933230) is 1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine is CN(N)c1cccc(C2CC2)c1CSc1cc(Cl)ccc1F.
What is the InChIKey of 1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
The InChIKey is QXNOZVTXHSJTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2S/c1-21(20)16-4-2-3-13(11-5-6-11)14(16)10-22-17-9-12(18)7-8-15(17)19/h2-4,7-9,11H,5-6,10,20H2,1H3.
What are the key properties of 1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine?
1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine has a molecular weight of 336.86 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine is sourced from PubChem (CID 144933230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).