1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene

C10H14F3N3O2S — CID 61456312

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C10H14F3N3O2S/c1-16(6-2-5-14)19(17,18)15-8-4-3-7(11)9(12)10(8)13/h3-4,15H,2,5-6,14H2,1H3
InChIKeyXZZGFBNUXVTWGG-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.04
Rot. Bonds6

About 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene (PubChem CID 61456312) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
PubChem CID61456312
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C10H14F3N3O2S/c1-16(6-2-5-14)19(17,18)15-8-4-3-7(11)9(12)10(8)13/h3-4,15H,2,5-6,14H2,1H3
InChIKeyXZZGFBNUXVTWGG-UHFFFAOYSA-N
XLogP1.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene (CID 61456312) is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene is CN(CCCN)S(=O)(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene?
The InChIKey is XZZGFBNUXVTWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-16(6-2-5-14)19(17,18)15-8-4-3-7(11)9(12)10(8)13/h3-4,15H,2,5-6,14H2,1H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene?
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene has a molecular weight of 297.30 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene is sourced from PubChem (CID 61456312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).