4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide

C14H19ClN2OS — CID 55180427

IUPAC4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide
SMILESCC1CCCC(Sc2cc(Cl)ccc2/C(N)=N/O)C1
InChIInChI=1S/C14H19ClN2OS/c1-9-3-2-4-11(7-9)19-13-8-10(15)5-6-12(13)14(16)17-18/h5-6,8-9,11,18H,2-4,7H2,1H3,(H2,16,17)
InChIKeyOFHXARBXVWMRKU-UHFFFAOYSA-N
MW298.84 g/mol
LogP4.11
Rot. Bonds3

About 4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide

4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide (PubChem CID 55180427) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide
PubChem CID55180427
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide
SMILESCC1CCCC(Sc2cc(Cl)ccc2/C(N)=N/O)C1
InChIInChI=1S/C14H19ClN2OS/c1-9-3-2-4-11(7-9)19-13-8-10(15)5-6-12(13)14(16)17-18/h5-6,8-9,11,18H,2-4,7H2,1H3,(H2,16,17)
InChIKeyOFHXARBXVWMRKU-UHFFFAOYSA-N
XLogP4.11
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 54.11
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-chloro-6-(2-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 55079609
2-chloro-6-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 55079611
4-(3-chlorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 55101561
4-Chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55180228
4-Chloro-2-(2,5-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55180229
4-chloro-2-(4-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 55180231
2-(2-chlorophenyl)sulfanyl-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55234715
4-Chloro-2-(2-fluorophenyl)sulfanylbenzenecarboximidamide
CID 63092353
4-Chloro-2-(4-fluorophenyl)sulfanylbenzenecarboximidamide
CID 63092520
4-Chloro-2-(2,4-difluorophenyl)sulfanylbenzenecarboximidamide
CID 63094047
2-(3-Chlorophenyl)sulfanyl-5-fluorobenzenecarboximidamide
CID 63667999
2-chloro-6-(2-fluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 76208035

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide (CID 55180427) is 4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide is CC1CCCC(Sc2cc(Cl)ccc2/C(N)=N/O)C1.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide?
The InChIKey is OFHXARBXVWMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-9-3-2-4-11(7-9)19-13-8-10(15)5-6-12(13)14(16)17-18/h5-6,8-9,11,18H,2-4,7H2,1H3,(H2,16,17).
What are the key properties of 4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide?
4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide has a molecular weight of 298.84 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 55180427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).