4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide

C14H11Cl2FN2S — CID 28555891

IUPAC4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C14H11Cl2FN2S/c15-10-3-4-11(16)13(6-10)20-7-9-2-1-8(14(18)19)5-12(9)17/h1-6H,7H2,(H3,18,19)
InChIKeyPNUDHMLMAXBGCP-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.71
Rot. Bonds4

About 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide

4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide (PubChem CID 28555891) has the molecular formula C14H11Cl2FN2S and a molecular weight of 329.23 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide
PubChem CID28555891
Molecular FormulaC14H11Cl2FN2S
Molecular Weight329.23 g/mol
Exact Mass328.00
IUPAC Name4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C14H11Cl2FN2S/c15-10-3-4-11(16)13(6-10)20-7-9-2-1-8(14(18)19)5-12(9)17/h1-6H,7H2,(H3,18,19)
InChIKeyPNUDHMLMAXBGCP-UHFFFAOYSA-N
XLogP4.71
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide (CID 28555891) is 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(CSc2cc(Cl)ccc2Cl)c(F)c1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide?
The InChIKey is PNUDHMLMAXBGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2S/c15-10-3-4-11(16)13(6-10)20-7-9-2-1-8(14(18)19)5-12(9)17/h1-6H,7H2,(H3,18,19).
What are the key properties of 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide?
4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide has a molecular weight of 329.23 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 28555891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).