5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene

C11H16BrF2N3O2S — CID 106066650

IUPAC5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H16BrF2N3O2S/c1-15-4-3-5-17(2)20(18,19)16-11-9(13)6-8(12)7-10(11)14/h6-7,15-16H,3-5H2,1-2H3
InChIKeyISHZYJSJQMYWIU-UHFFFAOYSA-N
MW372.24 g/mol
LogP1.93
Rot. Bonds7

About 5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene

5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (PubChem CID 106066650) has the molecular formula C11H16BrF2N3O2S and a molecular weight of 372.24 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.

Molecular Properties

Compound Name5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
PubChem CID106066650
Molecular FormulaC11H16BrF2N3O2S
Molecular Weight372.24 g/mol
Exact Mass371.01
IUPAC Name5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H16BrF2N3O2S/c1-15-4-3-5-17(2)20(18,19)16-11-9(13)6-8(12)7-10(11)14/h6-7,15-16H,3-5H2,1-2H3
InChIKeyISHZYJSJQMYWIU-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-fluoro-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106078274
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106066644
4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106056678
1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106088483
1,2,4-trichloro-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106057712
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
CID 114141108
1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237
1-bromo-4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-fluorobenzene
CID 106067142
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide
CID 65469929
2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106006630
2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,3-thiazole
CID 106031702
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
CID 106083766

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The IUPAC name of 5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (CID 106066650) is 5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.
What is the SMILES notation for 5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The canonical SMILES for 5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is CNCCCN(C)S(=O)(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The InChIKey is ISHZYJSJQMYWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrF2N3O2S/c1-15-4-3-5-17(2)20(18,19)16-11-9(13)6-8(12)7-10(11)14/h6-7,15-16H,3-5H2,1-2H3.
What are the key properties of 5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene has a molecular weight of 372.24 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is sourced from PubChem (CID 106066650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).