4-Chloro-2,5-dimethylbenzenesulfonamide

C8H10ClNO2SCAS 219689-73-3219.68 g/mol

Open in Covalent MOL file
ClSOOH2N
Aryl halideSulfonamide

Properties

Molecular formula
C8H10ClNO2S
Molar mass
219.68 g/mol
Exact mass
219.0121 Da
logP
1.60Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
219689-73-3
SMILES
CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N
InChIKey
YSDCIOQWHXYICL-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClNO2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3,(H2,10,11,12)

Weigh it out

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

Work with 4-Chloro-2,5-dimethylbenzenesulfonamide

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

4-Chloro-2,5-dimethylbenzenesulfonyl chloride88-49-361 % similar 2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-453 % similar 2,5-Dichloro-p-xylene1124-05-652 % similar 2-Chlorobenzenesulfonamide6961-82-652 % similar 4-Amino-6-chloro-1,3-benzenedisulfonamide121-30-251 % similar 5-Amino-2-methylbenzenesulfonamide6973-09-750 % similar 2-Amino-4-chloro-5-methylbenzenesulfonic acid88-51-749 % similar 4-Fluoro-2-methylbenzenesulfonamide489-17-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook