1-(Phenylsulfonyl)-1H-pyrrole

C₁₀H₉NO₂SCAS 16851-82-4207.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₉NO₂S
Molar mass: 207.25 g/mol
Exact mass: 207.0354 Da
Melting point: 88–89 °C
logP: 1.73Crippen estimate
Polar surface area: 39.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

16851-82-4

SMILES

O=S(=O)(c1ccccc1)n1cccc1

InChIKey

PPPXRIUHKCOOMU-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO2S/c12-14(13,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-9H

Weigh it out

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

Names and synonyms

7 names

1H-Pyrrole, 1-(phenylsulfonyl)-
Pyrrole, 1-(phenylsulfonyl)-
N-Phenylsulfonylpyrrole
N-(Benzenesulfonyl)pyrrole
1-(Phenylsulfonyl)pyrrole
1-(Benzenesulfonyl)-1H-pyrrole
NSC 102019

Work with 1-(Phenylsulfonyl)-1H-pyrrole

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

Same formula

Ethyl 4-isothiocyanatobenzoate1205-06-7

Elsewhere

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