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

C10H15BrN2O2S — CID 114808956

IUPAC2-bromo-5-methyl-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-3-6-12-16(14,15)13-10-7-8(2)4-5-9(10)11/h4-5,7,12-13H,3,6H2,1-2H3
InChIKeyLQSTXCWZMIQSDY-UHFFFAOYSA-N
MW307.21 g/mol
LogP2.41
Rot. Bonds5

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

2-bromo-5-methyl-N-(propylsulfamoyl)aniline (PubChem CID 114808956) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(propylsulfamoyl)aniline.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(propylsulfamoyl)aniline
PubChem CID114808956
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name2-bromo-5-methyl-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-3-6-12-16(14,15)13-10-7-8(2)4-5-9(10)11/h4-5,7,12-13H,3,6H2,1-2H3
InChIKeyLQSTXCWZMIQSDY-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-N-(propylsulfamoyl)aniline
CID 114808923
2-bromo-5-methoxy-N-(propylsulfamoyl)aniline
CID 114808853
N-(2-bromo-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106076580
4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline
CID 114808991
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
3-bromo-5-methyl-N-(propylsulfamoyl)aniline
CID 110614185
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
4-bromo-2-(propylsulfamoylamino)benzoic acid
CID 114805702
N-(2-bromo-5-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 82750328
N-(2-bromo-5-methylphenyl)-1-cyanopropane-1-sulfonamide
CID 82757404
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
2-(2-bromo-5-methylanilino)-N-propylacetamide
CID 82714044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(propylsulfamoyl)aniline?
The IUPAC name of 2-bromo-5-methyl-N-(propylsulfamoyl)aniline (CID 114808956) is 2-bromo-5-methyl-N-(propylsulfamoyl)aniline.
What is the SMILES notation for 2-bromo-5-methyl-N-(propylsulfamoyl)aniline?
The canonical SMILES for 2-bromo-5-methyl-N-(propylsulfamoyl)aniline is CCCNS(=O)(=O)Nc1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-5-methyl-N-(propylsulfamoyl)aniline?
The InChIKey is LQSTXCWZMIQSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-3-6-12-16(14,15)13-10-7-8(2)4-5-9(10)11/h4-5,7,12-13H,3,6H2,1-2H3.
What are the key properties of 2-bromo-5-methyl-N-(propylsulfamoyl)aniline?
2-bromo-5-methyl-N-(propylsulfamoyl)aniline has a molecular weight of 307.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(propylsulfamoyl)aniline is sourced from PubChem (CID 114808956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).