4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline

C10H14BrFN2O2S — CID 114808991

IUPAC4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(F)c(Br)cc1C
InChIInChI=1S/C10H14BrFN2O2S/c1-3-4-13-17(15,16)14-10-6-9(12)8(11)5-7(10)2/h5-6,13-14H,3-4H2,1-2H3
InChIKeyZSYLYSBNRRMORF-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.55
Rot. Bonds5

About 4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline

4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline (PubChem CID 114808991) has the molecular formula C10H14BrFN2O2S and a molecular weight of 325.20 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline
PubChem CID114808991
Molecular FormulaC10H14BrFN2O2S
Molecular Weight325.20 g/mol
Exact Mass323.99
IUPAC Name4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(F)c(Br)cc1C
InChIInChI=1S/C10H14BrFN2O2S/c1-3-4-13-17(15,16)14-10-6-9(12)8(11)5-7(10)2/h5-6,13-14H,3-4H2,1-2H3
InChIKeyZSYLYSBNRRMORF-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline
CID 107592648
4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline
CID 114808990
N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 107592659
2-bromo-5-methyl-N-(propylsulfamoyl)aniline
CID 114808956
2-bromo-5-chloro-N-(propylsulfamoyl)aniline
CID 114808923
N-(5-bromo-4-fluoro-2-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106087809
2-bromo-5-methoxy-N-(propylsulfamoyl)aniline
CID 114808853
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772
3-bromo-5-methyl-N-(propylsulfamoyl)aniline
CID 110614185
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
4-bromo-3-N-(ethylsulfamoyl)-6-methylbenzene-1,3-diamine
CID 114804982

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline?
The IUPAC name of 4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline (CID 114808991) is 4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline.
What is the SMILES notation for 4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline?
The canonical SMILES for 4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline is CCCNS(=O)(=O)Nc1cc(F)c(Br)cc1C.
What is the InChIKey of 4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline?
The InChIKey is ZSYLYSBNRRMORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S/c1-3-4-13-17(15,16)14-10-6-9(12)8(11)5-7(10)2/h5-6,13-14H,3-4H2,1-2H3.
What are the key properties of 4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline?
4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline has a molecular weight of 325.20 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline is sourced from PubChem (CID 114808991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).