4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide

C14H13ClN2OS — CID 81277840

IUPAC4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1cc(Sc2ccc(Cl)cc2)ccc1/C(N)=N/O
InChIInChI=1S/C14H13ClN2OS/c1-9-8-12(6-7-13(9)14(16)17-18)19-11-4-2-10(15)3-5-11/h2-8,18H,1H3,(H2,16,17)
InChIKeyZRBIXXULURDQQK-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.89
Rot. Bonds3

About 4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide

4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide (PubChem CID 81277840) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide
PubChem CID81277840
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1cc(Sc2ccc(Cl)cc2)ccc1/C(N)=N/O
InChIInChI=1S/C14H13ClN2OS/c1-9-8-12(6-7-13(9)14(16)17-18)19-11-4-2-10(15)3-5-11/h2-8,18H,1H3,(H2,16,17)
InChIKeyZRBIXXULURDQQK-UHFFFAOYSA-N
XLogP3.89
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.89
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide (CID 81277840) is 4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide is Cc1cc(Sc2ccc(Cl)cc2)ccc1/C(N)=N/O.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide?
The InChIKey is ZRBIXXULURDQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-9-8-12(6-7-13(9)14(16)17-18)19-11-4-2-10(15)3-5-11/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide?
4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide has a molecular weight of 292.79 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81277840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).