2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine

C7H10BrN3O2S — CID 114804926

IUPAC2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine
SMILESCNS(=O)(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C7H10BrN3O2S/c1-10-14(12,13)11-5-2-3-7(9)6(8)4-5/h2-4,10-11H,9H2,1H3
InChIKeyONCFFKNPXWFOCL-UHFFFAOYSA-N
MW280.15 g/mol
LogP0.91
Rot. Bonds3

About 2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine

2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine (PubChem CID 114804926) has the molecular formula C7H10BrN3O2S and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine
PubChem CID114804926
Molecular FormulaC7H10BrN3O2S
Molecular Weight280.15 g/mol
Exact Mass278.97
IUPAC Name2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine
SMILESCNS(=O)(=O)Nc1ccc(N)c(Br)c1
InChIInChI=1S/C7H10BrN3O2S/c1-10-14(12,13)11-5-2-3-7(9)6(8)4-5/h2-4,10-11H,9H2,1H3
InChIKeyONCFFKNPXWFOCL-UHFFFAOYSA-N
XLogP0.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-bromo-4-(dimethylsulfamoylamino)benzene
CID 82862036
N-(4-amino-3-bromophenyl)-3-methylbenzenesulfonamide
CID 82861740
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438
ethyl 2-[(4-amino-3-bromophenyl)sulfamoyl]acetate
CID 82861891
4-amino-3-bromo-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775504
N-(4-amino-3-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313893
N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
CID 82862185
4-bromo-1-N-(2-methoxyethylsulfamoyl)benzene-1,3-diamine
CID 114814198
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 82861668

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine?
The IUPAC name of 2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine (CID 114804926) is 2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine.
What is the SMILES notation for 2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine?
The canonical SMILES for 2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine is CNS(=O)(=O)Nc1ccc(N)c(Br)c1.
What is the InChIKey of 2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine?
The InChIKey is ONCFFKNPXWFOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2S/c1-10-14(12,13)11-5-2-3-7(9)6(8)4-5/h2-4,10-11H,9H2,1H3.
What are the key properties of 2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine?
2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine has a molecular weight of 280.15 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine is sourced from PubChem (CID 114804926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).