11-(octylsulfonylamino)undecanoic acid

C19H39NO4S — CID 4605614

IUPAC11-(octylsulfonylamino)undecanoic acid
SMILESCCCCCCCCS(=O)(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H39NO4S/c1-2-3-4-5-12-15-18-25(23,24)20-17-14-11-9-7-6-8-10-13-16-19(21)22/h20H,2-18H2,1H3,(H,21,22)
InChIKeyXFJONVKWGPZBGW-UHFFFAOYSA-N
MW377.59 g/mol
LogP4.86
Rot. Bonds19

About 11-(octylsulfonylamino)undecanoic acid

11-(octylsulfonylamino)undecanoic acid (PubChem CID 4605614) has the molecular formula C19H39NO4S and a molecular weight of 377.59 g/mol. Its IUPAC name is 11-(octylsulfonylamino)undecanoic acid.

Molecular Properties

Compound Name11-(octylsulfonylamino)undecanoic acid
PubChem CID4605614
Molecular FormulaC19H39NO4S
Molecular Weight377.59 g/mol
Exact Mass377.26
IUPAC Name11-(octylsulfonylamino)undecanoic acid
SMILESCCCCCCCCS(=O)(=O)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H39NO4S/c1-2-3-4-5-12-15-18-25(23,24)20-17-14-11-9-7-6-8-10-13-16-19(21)22/h20H,2-18H2,1H3,(H,21,22)
InChIKeyXFJONVKWGPZBGW-UHFFFAOYSA-N
XLogP4.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.59
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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7-[(5-hydroxy-6,6-dimethyldecyl)sulfonylamino]heptanoic acid
CID 88805495
N-octadecylpropane-1-sulfonamide
CID 88827291
(E)-10-(hexylsulfamoyl)dec-3-enoic acid
CID 90060320
2-(nonylsulfonylamino)acetic acid
CID 4052547
2-(tetracosylsulfonylamino)acetic acid
CID 101284702
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
6-octylsulfonylhexanoic acid
CID 101384245
5-nonylsulfonylpentanoic acid
CID 82182716
2-(decylsulfonylamino)ethylcarbamic acid
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Frequently Asked Questions

What is the IUPAC name of 11-(octylsulfonylamino)undecanoic acid?
The IUPAC name of 11-(octylsulfonylamino)undecanoic acid (CID 4605614) is 11-(octylsulfonylamino)undecanoic acid.
What is the SMILES notation for 11-(octylsulfonylamino)undecanoic acid?
The canonical SMILES for 11-(octylsulfonylamino)undecanoic acid is CCCCCCCCS(=O)(=O)NCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(octylsulfonylamino)undecanoic acid?
The InChIKey is XFJONVKWGPZBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO4S/c1-2-3-4-5-12-15-18-25(23,24)20-17-14-11-9-7-6-8-10-13-16-19(21)22/h20H,2-18H2,1H3,(H,21,22).
What are the key properties of 11-(octylsulfonylamino)undecanoic acid?
11-(octylsulfonylamino)undecanoic acid has a molecular weight of 377.59 g/mol, XLogP of 4.86, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(octylsulfonylamino)undecanoic acid is sourced from PubChem (CID 4605614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).