4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole

C₈H₈FN₃O₃SCAS 98358-90-8245.23 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide

Properties

Molecular formula: C₈H₈FN₃O₃S
Molar mass: 245.23 g/mol
Exact mass: 245.0270 Da
logP: 0.61Crippen estimate
Polar surface area: 76.3 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

98358-90-8

SMILES

CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)F

InChIKey

YZWANFXENNWOOR-UHFFFAOYSA-N

InChI

InChI=1S/C8H8FN3O3S/c1-12(2)16(13,14)6-4-3-5(9)7-8(6)11-15-10-7/h3-4H,1-2H3

Weigh it out

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

Work with 4-(N,N-Dimethylaminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole

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

7-Fluoro-4-nitrobenzo-2-oxa-1,3-diazole29270-56-240 % similar 2-(N,N-Dimethylsulphamoyl)benzeneboronic acid178432-25-235 % similar 4-Amino-N,N-dimethylbenzenesulfonamide1709-59-733 % similar 4-Bromo-N,N-dimethylbenzenesulfonamide707-60-833 % similar N,N,2-Trimethyl-5-nitrobenzenesulfonamide433695-36-431 % similar 4-(N,N-Dimethylsulphonamido)benzeneboronic acid486422-59-730 % similar

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

Elsewhere

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