2-(dodecylsulfamoyl)acetic acid

C14H29NO4S — CID 18988679

IUPAC2-(dodecylsulfamoyl)acetic acid
SMILESCCCCCCCCCCCCNS(=O)(=O)CC(=O)O
InChIInChI=1S/C14H29NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20(18,19)13-14(16)17/h15H,2-13H2,1H3,(H,16,17)
InChIKeyJONGULBSRZHPHZ-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.91
Rot. Bonds14

About 2-(dodecylsulfamoyl)acetic acid

2-(dodecylsulfamoyl)acetic acid (PubChem CID 18988679) has the molecular formula C14H29NO4S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(dodecylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(dodecylsulfamoyl)acetic acid
PubChem CID18988679
Molecular FormulaC14H29NO4S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name2-(dodecylsulfamoyl)acetic acid
SMILESCCCCCCCCCCCCNS(=O)(=O)CC(=O)O
InChIInChI=1S/C14H29NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20(18,19)13-14(16)17/h15H,2-13H2,1H3,(H,16,17)
InChIKeyJONGULBSRZHPHZ-UHFFFAOYSA-N
XLogP2.91
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of 2-(dodecylsulfamoyl)acetic acid?
The IUPAC name of 2-(dodecylsulfamoyl)acetic acid (CID 18988679) is 2-(dodecylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(dodecylsulfamoyl)acetic acid?
The canonical SMILES for 2-(dodecylsulfamoyl)acetic acid is CCCCCCCCCCCCNS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(dodecylsulfamoyl)acetic acid?
The InChIKey is JONGULBSRZHPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-15-20(18,19)13-14(16)17/h15H,2-13H2,1H3,(H,16,17).
What are the key properties of 2-(dodecylsulfamoyl)acetic acid?
2-(dodecylsulfamoyl)acetic acid has a molecular weight of 307.46 g/mol, XLogP of 2.91, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecylsulfamoyl)acetic acid is sourced from PubChem (CID 18988679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).