1-fluoropentylsulfamic acid

C5H12FNO3S — CID 57239543

IUPAC1-fluoropentylsulfamic acid
SMILESCCCCC(F)NS(=O)(=O)O
InChIInChI=1S/C5H12FNO3S/c1-2-3-4-5(6)7-11(8,9)10/h5,7H,2-4H2,1H3,(H,8,9,10)
InChIKeyCPZPDORBOGOHJU-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.86
Rot. Bonds5

About 1-fluoropentylsulfamic acid

1-fluoropentylsulfamic acid (PubChem CID 57239543) has the molecular formula C5H12FNO3S and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-fluoropentylsulfamic acid.

Molecular Properties

Compound Name1-fluoropentylsulfamic acid
PubChem CID57239543
Molecular FormulaC5H12FNO3S
Molecular Weight185.22 g/mol
Exact Mass185.05
IUPAC Name1-fluoropentylsulfamic acid
SMILESCCCCC(F)NS(=O)(=O)O
InChIInChI=1S/C5H12FNO3S/c1-2-3-4-5(6)7-11(8,9)10/h5,7H,2-4H2,1H3,(H,8,9,10)
InChIKeyCPZPDORBOGOHJU-UHFFFAOYSA-N
XLogP0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Butylsulfamic acid
CID 3628384
Hexylsulfamic acid
CID 204300
N-amylsulfamic acid
CID 15894851
1-Fluoropropylsulfamic acid
CID 20542120
1-Fluorobutylsulfamic acid
CID 20542132
N-pentylsulfamoyl fluoride
CID 54297482
1-Fluorohexylsulfamic acid
CID 57229371
1-Fluoroheptylsulfamic acid
CID 57274838
1-Fluoro-5-(sulfinatoamino)pentane
CID 91169379
4-Fluorobutylsulfamic acid
CID 163287147
1-Fluoro-1-(sulfinatoamino)pentane
CID 174504933
1-Fluoro-6-(sulfinoamino)hexane
CID 90973736

Frequently Asked Questions

What is the IUPAC name of 1-fluoropentylsulfamic acid?
The IUPAC name of 1-fluoropentylsulfamic acid (CID 57239543) is 1-fluoropentylsulfamic acid.
What is the SMILES notation for 1-fluoropentylsulfamic acid?
The canonical SMILES for 1-fluoropentylsulfamic acid is CCCCC(F)NS(=O)(=O)O.
What is the InChIKey of 1-fluoropentylsulfamic acid?
The InChIKey is CPZPDORBOGOHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO3S/c1-2-3-4-5(6)7-11(8,9)10/h5,7H,2-4H2,1H3,(H,8,9,10).
What are the key properties of 1-fluoropentylsulfamic acid?
1-fluoropentylsulfamic acid has a molecular weight of 185.22 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropentylsulfamic acid is sourced from PubChem (CID 57239543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).