N-Methyl-1H-indole-5-ethanesulphonamide

C₁₁H₁₄N₂O₂SCAS 98623-50-8238.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₄N₂O₂S
Molar mass: 238.31 g/mol
Exact mass: 238.0776 Da
logP: 1.26Crippen estimate
Polar surface area: 62.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

98623-50-8

SMILES

CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2

InChIKey

PPXMUBLAPJLGNE-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O2S/c1-12-16(14,15)7-5-9-2-3-11-10(8-9)4-6-13-11/h2-4,6,8,12-13H,5,7H2,1H3

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Names and synonyms

1 names

2-(1H-Indol-5-yl)-N-methylethanesulfonamide

Work with N-Methyl-1H-indole-5-ethanesulphonamide

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

Naratriptan121679-13-849 % similar N-Methyl-3-(1-methyl-4-piperidinyl)-1H-indole-5-ethanesulfonamide hydrochloride143388-64-147 % similar Indole-5-methanol1075-25-845 % similar 1H-Indole-5-methanamine81881-74-545 % similar 3-(2-Aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide88919-22-643 % similar Sumatriptan103628-46-241 % similar 5-Methylindole614-96-039 % similar 5-Chloroindole17422-32-138 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook