6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide

C12H17ClFNO3S — CID 82727709

IUPAC6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNO3S/c13-11-6-5-10(9-12(11)14)18-7-3-1-2-4-8-19(15,16)17/h5-6,9H,1-4,7-8H2,(H2,15,16,17)
InChIKeyVKVQLARZHZFIDT-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.71
Rot. Bonds8

About 6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide

6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide (PubChem CID 82727709) has the molecular formula C12H17ClFNO3S and a molecular weight of 309.79 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide
PubChem CID82727709
Molecular FormulaC12H17ClFNO3S
Molecular Weight309.79 g/mol
Exact Mass309.06
IUPAC Name6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCOc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H17ClFNO3S/c13-11-6-5-10(9-12(11)14)18-7-3-1-2-4-8-19(15,16)17/h5-6,9H,1-4,7-8H2,(H2,15,16,17)
InChIKeyVKVQLARZHZFIDT-UHFFFAOYSA-N
XLogP2.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide
CID 65202502
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pentane-1-sulfonamide
CID 102747732
3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide
CID 65202554
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
9-(3-bromophenoxy)nonane-1-sulfonamide
CID 105343891
1-chloro-2-fluoro-4-(4,4,4-trifluorobutoxy)benzene
CID 82727729
4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride
CID 83234939
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 82727324
5-(3-chloro-4-fluorophenoxy)pentan-1-amine
CID 63877786
1-chloro-2-fluoro-4-(iodosylmethoxy)benzene
CID 155717110
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
4-[2-(4-chloro-3-fluorophenoxy)ethoxy]benzenecarbothioamide
CID 82718053

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide?
The IUPAC name of 6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide (CID 82727709) is 6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide.
What is the SMILES notation for 6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide?
The canonical SMILES for 6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide is NS(=O)(=O)CCCCCCOc1ccc(Cl)c(F)c1.
What is the InChIKey of 6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide?
The InChIKey is VKVQLARZHZFIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO3S/c13-11-6-5-10(9-12(11)14)18-7-3-1-2-4-8-19(15,16)17/h5-6,9H,1-4,7-8H2,(H2,15,16,17).
What are the key properties of 6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide?
6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide has a molecular weight of 309.79 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenoxy)hexane-1-sulfonamide is sourced from PubChem (CID 82727709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).