2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

C15H14ClFN2OS — CID 103288550

IUPAC2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1CSCc1ccccc1Cl
InChIInChI=1S/C15H14ClFN2OS/c16-14-4-2-1-3-11(14)9-21-8-10-5-6-12(17)7-13(10)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyAPDPWLUNKVBVDA-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.01
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 103288550) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID103288550
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1CSCc1ccccc1Cl
InChIInChI=1S/C15H14ClFN2OS/c16-14-4-2-1-3-11(14)9-21-8-10-5-6-12(17)7-13(10)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19)
InChIKeyAPDPWLUNKVBVDA-UHFFFAOYSA-N
XLogP4.01
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77037069
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide
CID 103288502
5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77013703
2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
2-[(2-chloro-4-fluoroanilino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77028971
5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
CID 76994491
2-[(2-chloro-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 43185462
2-[(4-fluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 43187738
3-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxypropanimidamide
CID 103288542
3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 102668464
2-[(4-chloro-3-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 82718062
5-fluoro-N'-hydroxy-2-(pyrimidin-4-ylsulfanylmethyl)benzenecarboximidamide
CID 55226321

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 103288550) is 2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(F)ccc1CSCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is APDPWLUNKVBVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-14-4-2-1-3-11(14)9-21-8-10-5-6-12(17)7-13(10)15(18)19-20/h1-7,20H,8-9H2,(H2,18,19).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 324.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 103288550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).