3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide

C14H11ClF2N2OS — CID 102668464

IUPAC3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(CSc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C14H11ClF2N2OS/c15-11-5-8(14(18)19-20)1-2-9(11)7-21-13-6-10(16)3-4-12(13)17/h1-6,20H,7H2,(H2,18,19)
InChIKeyWIZLBRWTDCDLOM-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.01
Rot. Bonds4

About 3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 102668464) has the molecular formula C14H11ClF2N2OS and a molecular weight of 328.77 g/mol. Its IUPAC name is 3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
PubChem CID102668464
Molecular FormulaC14H11ClF2N2OS
Molecular Weight328.77 g/mol
Exact Mass328.02
IUPAC Name3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(CSc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C14H11ClF2N2OS/c15-11-5-8(14(18)19-20)1-2-9(11)7-21-13-6-10(16)3-4-12(13)17/h1-6,20H,7H2,(H2,18,19)
InChIKeyWIZLBRWTDCDLOM-UHFFFAOYSA-N
XLogP4.01
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
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

3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 43519045
4-[(2-bromophenyl)sulfanylmethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43345287
3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102982030
3-chloro-4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 102668481
2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 103288550
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide
CID 103288502
3-chloro-4-[(4-fluoro-3-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667127
3-chloro-4-[(4-chloro-3-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667229
3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666795
[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 43530758
3-chloro-N'-hydroxy-4-[(3-methylphenyl)methylsulfanylmethyl]benzenecarboximidamide
CID 102668485

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide (CID 102668464) is 3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(CSc2cc(F)ccc2F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is WIZLBRWTDCDLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2OS/c15-11-5-8(14(18)19-20)1-2-9(11)7-21-13-6-10(16)3-4-12(13)17/h1-6,20H,7H2,(H2,18,19).
What are the key properties of 3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 328.77 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102668464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).