2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene

C13H22FN3O2S — CID 106083766

IUPAC2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
SMILESCCNCCCN(C)S(=O)(=O)Nc1c(C)cccc1F
InChIInChI=1S/C13H22FN3O2S/c1-4-15-9-6-10-17(3)20(18,19)16-13-11(2)7-5-8-12(13)14/h5,7-8,15-16H,4,6,9-10H2,1-3H3
InChIKeyVPZLBNCACWXWCB-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.72
Rot. Bonds8

About 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene

2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene (PubChem CID 106083766) has the molecular formula C13H22FN3O2S and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene.

Molecular Properties

Compound Name2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
PubChem CID106083766
Molecular FormulaC13H22FN3O2S
Molecular Weight303.40 g/mol
Exact Mass303.14
IUPAC Name2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
SMILESCCNCCCN(C)S(=O)(=O)Nc1c(C)cccc1F
InChIInChI=1S/C13H22FN3O2S/c1-4-15-9-6-10-17(3)20(18,19)16-13-11(2)7-5-8-12(13)14/h5,7-8,15-16H,4,6,9-10H2,1-3H3
InChIKeyVPZLBNCACWXWCB-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
CID 106083705
1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106070684
1-chloro-3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylbenzene
CID 106057400
1-bromo-4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-fluorobenzene
CID 106067142
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
CID 114141697
5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
CID 106073291
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-methyl-3-propan-2-ylbenzene
CID 61456274
1-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]-3-fluorobenzene
CID 106000708
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene
CID 106056051
N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline
CID 164657353
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106083706

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene?
The IUPAC name of 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene (CID 106083766) is 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene.
What is the SMILES notation for 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene?
The canonical SMILES for 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene is CCNCCCN(C)S(=O)(=O)Nc1c(C)cccc1F.
What is the InChIKey of 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene?
The InChIKey is VPZLBNCACWXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O2S/c1-4-15-9-6-10-17(3)20(18,19)16-13-11(2)7-5-8-12(13)14/h5,7-8,15-16H,4,6,9-10H2,1-3H3.
What are the key properties of 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene?
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene has a molecular weight of 303.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene is sourced from PubChem (CID 106083766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).