5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine

C9H14FN3O2S — CID 107334287

IUPAC5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine
SMILESCCCNS(=O)(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C9H14FN3O2S/c1-2-3-12-16(14,15)13-9-5-7(10)4-8(11)6-9/h4-6,12-13H,2-3,11H2,1H3
InChIKeyOERDJYLHJGTVBK-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.06
Rot. Bonds5

About 5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine

5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine (PubChem CID 107334287) has the molecular formula C9H14FN3O2S and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine
PubChem CID107334287
Molecular FormulaC9H14FN3O2S
Molecular Weight247.29 g/mol
Exact Mass247.08
IUPAC Name5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine
SMILESCCCNS(=O)(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C9H14FN3O2S/c1-2-3-12-16(14,15)13-9-5-7(10)4-8(11)6-9/h4-6,12-13H,2-3,11H2,1H3
InChIKeyOERDJYLHJGTVBK-UHFFFAOYSA-N
XLogP1.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine (CID 107334287) is 5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine is CCCNS(=O)(=O)Nc1cc(N)cc(F)c1.
What is the InChIKey of 5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine?
The InChIKey is OERDJYLHJGTVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2S/c1-2-3-12-16(14,15)13-9-5-7(10)4-8(11)6-9/h4-6,12-13H,2-3,11H2,1H3.
What are the key properties of 5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine?
5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine has a molecular weight of 247.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine is sourced from PubChem (CID 107334287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).