1-(Phenylsulfonyl)indole

C₁₄H₁₁NO₂SCAS 40899-71-6257.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₁NO₂S
Molar mass: 257.31 g/mol
Exact mass: 257.0510 Da
logP: 2.88Crippen estimate
Polar surface area: 39.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

40899-71-6

SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C32

InChIKey

VDWLCYCWLIKWBV-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-11H

Weigh it out

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

Names and synonyms

1 names

1-(Phenylsulfonyl)-1H-indole

Work with 1-(Phenylsulfonyl)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-pyrrolo[2,3-b]pyridine143141-23-559 % similar 1-(Phenylsulfonyl)-1H-pyrrole16851-82-450 % similar 3-Bromo-1-(phenylsulfonyl)-1H-indole99655-68-249 % similar 1-(Phenylsulfonyl)-1H-indol-3-ylboronic acid129271-98-345 % similar 1-(Phenylsulfonyl)-2-indoleboronic acid342404-46-045 % similar 4-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine889939-25-743 % similar 1-Methylindole603-76-938 % similar 1-Benzylindole3377-71-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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