3-Bromo-1-(phenylsulfonyl)-1H-indole

C₁₄H₁₀BrNO₂SCAS 99655-68-2336.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₀BrNO₂S
Molar mass: 336.20 g/mol
Exact mass: 334.9616 Da
logP: 3.64Crippen estimate
Polar surface area: 39.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

99655-68-2

SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)Br

InChIKey

MXPFKHHDXIJNDX-UHFFFAOYSA-N

InChI

InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H

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Names and synonyms

1 names

3-Bromo-(1-phenylsulfonyl)indole

Work with 3-Bromo-1-(phenylsulfonyl)-1H-indole

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

1-(Phenylsulfonyl)-1H-indol-3-ylboronic acid129271-98-359 % similar 4-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine889939-25-749 % similar 1-(Phenylsulfonyl)indole40899-71-649 % similar 1-(Phenylsulfonyl)-1H-pyrrole16851-82-441 % similar 4-Bromo-2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine889939-26-839 % similar 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine143141-23-537 % similar N-(2-Bromophenyl)-9H-carbazole902518-11-036 % similar 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine886547-94-036 % similar

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

Elsewhere

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