1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

C11H16BrFN2O2S — CID 103223897

IUPAC1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H16BrFN2O2S/c1-7(2)15(4)18(16,17)14-11-6-9(12)10(13)5-8(11)3/h5-7,14H,1-4H3
InChIKeyAAODHTDVRDVKEF-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.89
Rot. Bonds4

About 1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (PubChem CID 103223897) has the molecular formula C11H16BrFN2O2S and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
PubChem CID103223897
Molecular FormulaC11H16BrFN2O2S
Molecular Weight339.23 g/mol
Exact Mass338.01
IUPAC Name1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H16BrFN2O2S/c1-7(2)15(4)18(16,17)14-11-6-9(12)10(13)5-8(11)3/h5-7,14H,1-4H3
InChIKeyAAODHTDVRDVKEF-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2782786
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N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide
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5-Bromo-2-ethyl-3-fluoroaniline
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N'-(5-bromo-4-fluoro-2-methylphenyl)-N-propan-2-yl-N-sulfanylcarbamimidoyl bromide
CID 135161036
N-(5-bromo-3-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 135348295
5-Bromo-3-fluoro-2-(methyliminomethyl)aniline
CID 144845560
2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline
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CID 162381660

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The IUPAC name of 1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (CID 103223897) is 1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The canonical SMILES for 1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is Cc1cc(F)c(Br)cc1NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of 1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The InChIKey is AAODHTDVRDVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O2S/c1-7(2)15(4)18(16,17)14-11-6-9(12)10(13)5-8(11)3/h5-7,14H,1-4H3.
What are the key properties of 1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene has a molecular weight of 339.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-methyl-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is sourced from PubChem (CID 103223897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).