6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide

C12H16ClNO2S — CID 74763669

IUPAC6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide
SMILESO=C(CCCCCSc1ccccc1Cl)NO
InChIInChI=1S/C12H16ClNO2S/c13-10-6-3-4-7-11(10)17-9-5-1-2-8-12(15)14-16/h3-4,6-7,16H,1-2,5,8-9H2,(H,14,15)
InChIKeyDHILXGLKZINXAR-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.50
Rot. Bonds7

About 6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide

6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide (PubChem CID 74763669) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide
PubChem CID74763669
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide
SMILESO=C(CCCCCSc1ccccc1Cl)NO
InChIInChI=1S/C12H16ClNO2S/c13-10-6-3-4-7-11(10)17-9-5-1-2-8-12(15)14-16/h3-4,6-7,16H,1-2,5,8-9H2,(H,14,15)
InChIKeyDHILXGLKZINXAR-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.50
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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Related Compounds

5-(2-chlorophenyl)sulfanylpentanoyl chloride
CID 117058638
5-(2-chlorophenyl)sulfanyl-N-(3-phenylpropyl)pentanamide
CID 10689987
4-(2-chlorophenyl)sulfanylbutanoyl chloride
CID 82041889
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
methyl 4-(2-chlorophenyl)sulfanylbutanoate
CID 43378296
3-(2-chlorophenyl)sulfanylpropanoate
CID 2380456
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895
N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
10-[2-(3-carboxypropylsulfanyl)phenyl]sulfanyldecanoic acid
CID 18795791
17-[2-(3-carboxypropylsulfanyl)phenyl]sulfanylheptadecanoic acid
CID 18796014
7-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-hydroxyheptanamide
CID 162394736
2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43387535

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide?
The IUPAC name of 6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide (CID 74763669) is 6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide?
The canonical SMILES for 6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide is O=C(CCCCCSc1ccccc1Cl)NO.
What is the InChIKey of 6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide?
The InChIKey is DHILXGLKZINXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c13-10-6-3-4-7-11(10)17-9-5-1-2-8-12(15)14-16/h3-4,6-7,16H,1-2,5,8-9H2,(H,14,15).
What are the key properties of 6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide?
6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide has a molecular weight of 273.78 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanyl-N-hydroxyhexanamide is sourced from PubChem (CID 74763669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).