1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene

C10H15FIN3O2S — CID 114261612

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1cccc(F)c1I
InChIInChI=1S/C10H15FIN3O2S/c1-15(7-3-6-13)18(16,17)14-9-5-2-4-8(11)10(9)12/h2,4-5,14H,3,6-7,13H2,1H3
InChIKeyZAXARAGLPNAYDT-UHFFFAOYSA-N
MW387.22 g/mol
LogP1.37
Rot. Bonds6

About 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene (PubChem CID 114261612) has the molecular formula C10H15FIN3O2S and a molecular weight of 387.22 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
PubChem CID114261612
Molecular FormulaC10H15FIN3O2S
Molecular Weight387.22 g/mol
Exact Mass386.99
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1cccc(F)c1I
InChIInChI=1S/C10H15FIN3O2S/c1-15(7-3-6-13)18(16,17)14-9-5-2-4-8(11)10(9)12/h2,4-5,14H,3,6-7,13H2,1H3
InChIKeyZAXARAGLPNAYDT-UHFFFAOYSA-N
XLogP1.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
CID 54952343
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(difluoromethylsulfanyl)benzene
CID 106057875
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-4-iodobenzene
CID 114261617
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
CID 114141108
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,3-dichlorobenzene
CID 114141477
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene
CID 102904867
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
CID 54952240
3-[[3-aminopropyl(methyl)sulfamoyl]amino]pyridazine
CID 116786561
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027

Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene (CID 114261612) is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene is CN(CCCN)S(=O)(=O)Nc1cccc(F)c1I.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene?
The InChIKey is ZAXARAGLPNAYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FIN3O2S/c1-15(7-3-6-13)18(16,17)14-9-5-2-4-8(11)10(9)12/h2,4-5,14H,3,6-7,13H2,1H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene?
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene has a molecular weight of 387.22 g/mol, XLogP of 1.37, 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]-3-fluoro-2-iodobenzene is sourced from PubChem (CID 114261612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).