2-[(p-Aminophenyl)sulfonyl]ethyl hydrogen sulfate

C₈H₁₁NO₆S₂CAS 2494-89-5281.30 g/mol

Open in Covalent MOL file

Primary amine Sulfone

Properties

Molecular formula: C₈H₁₁NO₆S₂
Molar mass: 281.30 g/mol
Exact mass: 281.0028 Da
logP: -0.14Crippen estimate
Polar surface area: 123.8 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 5

Hazards

Danger

H315 Causes skin irritation26.7% of notifiers
H318 Causes serious eye damage73.3% of notifiers
H341 Suspected of causing genetic defects26.7% of notifiers

Aggregated from 15 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P318, P321, P332+P317, P362+P364, P405, P501

Identifiers

CAS number

2494-89-5

SMILES

Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

InChIKey

IALORYHODRVWKZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO6S2/c9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14/h1-4H,5-6,9H2,(H,12,13,14)

Weigh it out

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

Names and synonyms

24 names · show all

Ethanol, 2-((4-aminophenyl)sulfonyl)-, 1-(hydrogen sulfate)
Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate)
Ethanol, 2-sulfanilyl-, hydrogen sulfate (ester)
Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester)
Ethanol, 2-sulfanilyl-, hydrogen sulfate
4-[(β-Sulfooxyethyl)sulfonyl]aniline
4-Aminophenyl β-sulfatoethyl sulfone
4-(β-Sulfatoethylsulfonyl)aniline
4-(2-Sulfatoethylsulfonyl)aniline
p-(2-Sulfatoethylsulfonyl)aniline
4-Amino-1-β-sulfatoethylsulfonylbenzene
4-Aminophenyl 2-sulfatoethyl sulfone
p-(β-Sulfatoethylsulfonyl)aniline
2-[(4-Aminophenyl)sulfonyl]ethyl hydrogen sulfate
p-Aminophenyl β-sulfatoethyl sulfone
p-Aminophenyl 2-sulfatoethyl sulfone
2-(4-Aminophenylsulfonyl)ethyl bisulfate
Para base sulfate
1-Aminobenzene-4-β-sulfatoethylsulfone
2-(4-Aminobenzenesulfonyl)ethyl sulfate
4-Aminophenyl β-hydroxyethyl sulfone sulfate ester
1-Aminobenzene-4-(2-sulfatoethyl)sulfone
[2-[(4-Aminobenzene)sulfonyl]ethoxy]sulfonic acid
4-(Ethylsulfuratesulfonyl) aniline

Work with 2-[(p-Aminophenyl)sulfonyl]ethyl hydrogen sulfate

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

Sulfanilic acid121-57-343 % similar Aminoethyl sulfate926-39-641 % similar 1,4-Benzenediamine sulfate16245-77-539 % similar Dapsone80-08-039 % similar 4-(Morpholinosulfonyl)aniline21626-70-039 % similar 4,4′-Diaminobenzenesulfonanilide16803-97-738 % similar 4-Aminoazobenzene-4′-sulfonic acid104-23-437 % similar Sulfanilamide63-74-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook