6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid

C14H20FNO4S — CID 65285413

IUPAC6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNS(=O)(=O)c1ccc(F)cc1)CCC(=O)O
InChIInChI=1S/C14H20FNO4S/c1-14(2,8-7-13(17)18)9-10-16-21(19,20)12-5-3-11(15)4-6-12/h3-6,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyHZGSACSQWYAHHW-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.39
Rot. Bonds8

About 6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid

6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid (PubChem CID 65285413) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid
PubChem CID65285413
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNS(=O)(=O)c1ccc(F)cc1)CCC(=O)O
InChIInChI=1S/C14H20FNO4S/c1-14(2,8-7-13(17)18)9-10-16-21(19,20)12-5-3-11(15)4-6-12/h3-6,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyHZGSACSQWYAHHW-UHFFFAOYSA-N
XLogP2.39
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(benzenesulfonamido)-4,4-dimethylhexanoic acid
CID 65284771
4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid
CID 65285268
4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid
CID 65284923
2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457001
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
6-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4,4-dimethylhexanoic acid
CID 79997899
4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 9340595
(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid
CID 119368464
tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 22713394
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid (CID 65285413) is 6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid is CC(C)(CCNS(=O)(=O)c1ccc(F)cc1)CCC(=O)O.
What is the InChIKey of 6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid?
The InChIKey is HZGSACSQWYAHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-14(2,8-7-13(17)18)9-10-16-21(19,20)12-5-3-11(15)4-6-12/h3-6,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid?
6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid has a molecular weight of 317.38 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65285413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).