6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide

C12H16ClNO3S — CID 10266202

IUPAC6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide
SMILESO=C(CCCCCS(=O)c1ccc(Cl)cc1)NO
InChIInChI=1S/C12H16ClNO3S/c13-10-5-7-11(8-6-10)18(17)9-3-1-2-4-12(15)14-16/h5-8,16H,1-4,9H2,(H,14,15)
InChIKeyJLLIFBMHDVFYPM-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.51
Rot. Bonds7

About 6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide

6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide (PubChem CID 10266202) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide
PubChem CID10266202
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide
SMILESO=C(CCCCCS(=O)c1ccc(Cl)cc1)NO
InChIInChI=1S/C12H16ClNO3S/c13-10-5-7-11(8-6-10)18(17)9-3-1-2-4-12(15)14-16/h5-8,16H,1-4,9H2,(H,14,15)
InChIKeyJLLIFBMHDVFYPM-UHFFFAOYSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide?
The IUPAC name of 6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide (CID 10266202) is 6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide.
What is the SMILES notation for 6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide?
The canonical SMILES for 6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide is O=C(CCCCCS(=O)c1ccc(Cl)cc1)NO.
What is the InChIKey of 6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide?
The InChIKey is JLLIFBMHDVFYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c13-10-5-7-11(8-6-10)18(17)9-3-1-2-4-12(15)14-16/h5-8,16H,1-4,9H2,(H,14,15).
What are the key properties of 6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide?
6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide has a molecular weight of 289.78 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfinyl-N-hydroxyhexanamide is sourced from PubChem (CID 10266202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).