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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

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

8 names

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

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

Similar compounds

1-Tosylpyrrole17639-64-464 % similar 1-(Phenylsulfonyl)indole40899-71-650 % similar 3-Acetyl-1-(phenylsulfonyl)pyrrole81453-98-750 % similar Diphenyl sulfone127-63-944 % similar 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine143141-23-543 % similar 3-Bromo-1-(phenylsulfonyl)-1H-indole99655-68-241 % similar N-Phenylbenzenesulfonamide1678-25-740 % similar N-(Phenylsulfonyl)benzenesulfonamide2618-96-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-isothiocyanatobenzoate1205-06-7 Naphthalene-2-sulfonamide1576-47-2 Methyl 5-amino-1-benzothiophene-2-carboxylate20699-85-8 2-Ethoxycarbonylphenyl isothiocyanate99960-09-5

Elsewhere

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