5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline

C10H14BrFN2O3S — CID 107592648

IUPAC5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline
SMILESCOCCNS(=O)(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C10H14BrFN2O3S/c1-7-5-9(12)8(11)6-10(7)14-18(15,16)13-3-4-17-2/h5-6,13-14H,3-4H2,1-2H3
InChIKeyFUTDTRQXVQCBSR-UHFFFAOYSA-N
MW341.20 g/mol
LogP1.79
Rot. Bonds6

About 5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline

5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline (PubChem CID 107592648) has the molecular formula C10H14BrFN2O3S and a molecular weight of 341.20 g/mol. Its IUPAC name is 5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline
PubChem CID107592648
Molecular FormulaC10H14BrFN2O3S
Molecular Weight341.20 g/mol
Exact Mass339.99
IUPAC Name5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline
SMILESCOCCNS(=O)(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C10H14BrFN2O3S/c1-7-5-9(12)8(11)6-10(7)14-18(15,16)13-3-4-17-2/h5-6,13-14H,3-4H2,1-2H3
InChIKeyFUTDTRQXVQCBSR-UHFFFAOYSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 51.79
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

4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline
CID 114808991
3-(2-methoxyethylsulfamoylamino)-4-methylbenzonitrile
CID 114815107
N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 107592659
4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline
CID 114808990
4-bromo-1-N-(2-methoxyethylsulfamoyl)benzene-1,3-diamine
CID 114814198
3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide
CID 114816608
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815174
(E)-3-[4-(2-methoxyethylsulfamoylamino)-3-methylphenyl]prop-2-enoic acid
CID 114816706
1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide
CID 106087794
4-[4-(2-methoxyethylsulfamoylamino)-3-methylphenyl]but-3-yn-1-ol
CID 114816406
4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide
CID 114816629

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline?
The IUPAC name of 5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline (CID 107592648) is 5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline.
What is the SMILES notation for 5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline?
The canonical SMILES for 5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline is COCCNS(=O)(=O)Nc1cc(Br)c(F)cc1C.
What is the InChIKey of 5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline?
The InChIKey is FUTDTRQXVQCBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O3S/c1-7-5-9(12)8(11)6-10(7)14-18(15,16)13-3-4-17-2/h5-6,13-14H,3-4H2,1-2H3.
What are the key properties of 5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline?
5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline has a molecular weight of 341.20 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline is sourced from PubChem (CID 107592648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).