6-(benzenesulfonamido)-4,4-dimethylhexanoic acid

C14H21NO4S — CID 65284771

IUPAC6-(benzenesulfonamido)-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNS(=O)(=O)c1ccccc1)CCC(=O)O
InChIInChI=1S/C14H21NO4S/c1-14(2,9-8-13(16)17)10-11-15-20(18,19)12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3,(H,16,17)
InChIKeyFHXKGHINJZFBQV-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.25
Rot. Bonds8

About 6-(benzenesulfonamido)-4,4-dimethylhexanoic acid

6-(benzenesulfonamido)-4,4-dimethylhexanoic acid (PubChem CID 65284771) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 6-(benzenesulfonamido)-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-(benzenesulfonamido)-4,4-dimethylhexanoic acid
PubChem CID65284771
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name6-(benzenesulfonamido)-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNS(=O)(=O)c1ccccc1)CCC(=O)O
InChIInChI=1S/C14H21NO4S/c1-14(2,9-8-13(16)17)10-11-15-20(18,19)12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3,(H,16,17)
InChIKeyFHXKGHINJZFBQV-UHFFFAOYSA-N
XLogP2.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid
CID 65285413
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
6-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4,4-dimethylhexanoic acid
CID 79997899
6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid
CID 65284819
4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
CID 119357149
(Z)-9-(benzenesulfonamido)non-5-enoic acid
CID 15052909
N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362987
N-[3-(aminomethyl)-3-ethylpentyl]benzenesulfonamide
CID 173233939
4,4-dimethyl-6-(3-phenylprop-2-enoylamino)hexanoic acid
CID 77064543
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 47364182

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonamido)-4,4-dimethylhexanoic acid?
The IUPAC name of 6-(benzenesulfonamido)-4,4-dimethylhexanoic acid (CID 65284771) is 6-(benzenesulfonamido)-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-(benzenesulfonamido)-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-(benzenesulfonamido)-4,4-dimethylhexanoic acid is CC(C)(CCNS(=O)(=O)c1ccccc1)CCC(=O)O.
What is the InChIKey of 6-(benzenesulfonamido)-4,4-dimethylhexanoic acid?
The InChIKey is FHXKGHINJZFBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-14(2,9-8-13(16)17)10-11-15-20(18,19)12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3,(H,16,17).
What are the key properties of 6-(benzenesulfonamido)-4,4-dimethylhexanoic acid?
6-(benzenesulfonamido)-4,4-dimethylhexanoic acid has a molecular weight of 299.39 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonamido)-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65284771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).