N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide

C12H16FNO3S — CID 64795142

IUPACN-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1O)C1CCCCC1
InChIInChI=1S/C12H16FNO3S/c13-9-6-7-12(15)11(8-9)14-18(16,17)10-4-2-1-3-5-10/h6-8,10,14-15H,1-5H2
InChIKeyDJLYVOWWVKUFRO-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.61
Rot. Bonds3

About N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide

N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide (PubChem CID 64795142) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide
PubChem CID64795142
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1O)C1CCCCC1
InChIInChI=1S/C12H16FNO3S/c13-9-6-7-12(15)11(8-9)14-18(16,17)10-4-2-1-3-5-10/h6-8,10,14-15H,1-5H2
InChIKeyDJLYVOWWVKUFRO-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide?
The IUPAC name of N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide (CID 64795142) is N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide?
The canonical SMILES for N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide is O=S(=O)(Nc1cc(F)ccc1O)C1CCCCC1.
What is the InChIKey of N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide?
The InChIKey is DJLYVOWWVKUFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-9-6-7-12(15)11(8-9)14-18(16,17)10-4-2-1-3-5-10/h6-8,10,14-15H,1-5H2.
What are the key properties of N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide?
N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide is sourced from PubChem (CID 64795142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).