2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide

C15H15ClN2OS — CID 107110977

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1SCc1ccccc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-10-5-4-7-12(15(17)18-19)14(10)20-9-11-6-2-3-8-13(11)16/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyQBBOUFGSZCWONE-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.04
Rot. Bonds4

About 2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide

2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107110977) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107110977
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1SCc1ccccc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-10-5-4-7-12(15(17)18-19)14(10)20-9-11-6-2-3-8-13(11)16/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyQBBOUFGSZCWONE-UHFFFAOYSA-N
XLogP4.04
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.04
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

N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide
CID 107110903
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxybenzenecarboximidamide
CID 103288502
2-butylsulfanyl-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110916
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
3,5-difluoro-N'-hydroxy-4-[(2-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 81287052
2-[(2-chlorophenyl)methylsulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 103288550
2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110958
N'-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 114000743
N'-hydroxy-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 76933124
2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 107306598
3-[(2-chlorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117566

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107110977) is 2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1SCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is QBBOUFGSZCWONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-10-5-4-7-12(15(17)18-19)14(10)20-9-11-6-2-3-8-13(11)16/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 306.82 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).