chempirical

2-Bromobenzenesulfonamide

C6H6BrNO2SCAS 92748-09-9236.08 g/mol

Open in Covalent MOL file
SOONH2Br
Aryl halideSulfonamide

Properties

Molecular formula
C6H6BrNO2S
Molar mass
236.08 g/mol
Exact mass
234.9303 Da
logP
1.10Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
92748-09-9
SMILES
C1=CC=C(C(=C1)S(=O)(=O)N)Br
InChIKey
YSFGGXNLZUSHHS-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Bromobenzenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Aminobenzenesulfonamide3306-62-557 % similar 2-Bromo-4-fluorobenzenesulfonamide351003-60-656 % similar 2-Fluorobenzenesulfonamide30058-40-355 % similar 2-Chlorobenzenesulfonamide6961-82-655 % similar 2-Methylbenzenesulfonamide88-19-755 % similar 2-Bromobenzenesulphonyl chloride2905-25-152 % similar 2-Bromo-4-(trifluoromethyl)benzenesulfonamide351003-63-951 % similar 2-(Trifluoromethyl)benzenesulfonamide1869-24-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-bromothiazole-4-carboxylate100367-77-9 Ethyl 2-bromothiazole-5-carboxylate41731-83-3 Ethyl 5-bromo-1,3-thiazole-4-carboxylate61830-23-7 4-Bromobenzenesulfonamide701-34-8 3-Bromobenzene-1-sulfonamide89599-01-9

Elsewhere

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