2-bromo-N-(methylsulfamoyl)aniline

C7H9BrN2O2S — CID 71126560

IUPAC2-bromo-N-(methylsulfamoyl)aniline
SMILESCNS(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C7H9BrN2O2S/c1-9-13(11,12)10-7-5-3-2-4-6(7)8/h2-5,9-10H,1H3
InChIKeyUWUJHVBJEOTZDA-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.33
Rot. Bonds3

About 2-bromo-N-(methylsulfamoyl)aniline

2-bromo-N-(methylsulfamoyl)aniline (PubChem CID 71126560) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 2-bromo-N-(methylsulfamoyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(methylsulfamoyl)aniline
PubChem CID71126560
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name2-bromo-N-(methylsulfamoyl)aniline
SMILESCNS(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C7H9BrN2O2S/c1-9-13(11,12)10-7-5-3-2-4-6(7)8/h2-5,9-10H,1H3
InChIKeyUWUJHVBJEOTZDA-UHFFFAOYSA-N
XLogP1.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(methylsulfamoyl)-2-phenylaniline
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N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
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2-[(2-bromophenyl)sulfamoyl]acetic acid
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N-(methylsulfamoyl)-2-nitroaniline
CID 127505599
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide
CID 21210098
N-[4-(2-bromoanilino)phenyl]methanesulfonamide
CID 112989037
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
N-(2-bromophenyl)-2,6-difluorobenzenesulfonamide
CID 2648231
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(methylsulfamoyl)aniline?
The IUPAC name of 2-bromo-N-(methylsulfamoyl)aniline (CID 71126560) is 2-bromo-N-(methylsulfamoyl)aniline.
What is the SMILES notation for 2-bromo-N-(methylsulfamoyl)aniline?
The canonical SMILES for 2-bromo-N-(methylsulfamoyl)aniline is CNS(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of 2-bromo-N-(methylsulfamoyl)aniline?
The InChIKey is UWUJHVBJEOTZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-9-13(11,12)10-7-5-3-2-4-6(7)8/h2-5,9-10H,1H3.
What are the key properties of 2-bromo-N-(methylsulfamoyl)aniline?
2-bromo-N-(methylsulfamoyl)aniline has a molecular weight of 265.13 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(methylsulfamoyl)aniline is sourced from PubChem (CID 71126560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).