chempirical

Ethyl N-[(4-methylphenyl)sulfonyl]carbamate

C10H13NO4SCAS 5577-13-9243.28 g/mol

Open in Covalent MOL file
OONHSOO

Properties

Molecular formula
C10H13NO4S
Molar mass
243.28 g/mol
Exact mass
243.0565 Da
Melting point
87–88 °C
logP
1.63Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
5577-13-9
SMILES
CCOC(O)=NS(=O)(=O)c1ccc(C)cc1
InChIKey
DFWQXANLGSXMKF-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO4S/c1-3-15-10(12)11-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

11 names
  • Carbamic acid, N-[(4-methylphenyl)sulfonyl]-, ethyl ester
  • Carbamic acid, (p-tolylsulfonyl)-, ethyl ester
  • Carbamic acid, [(4-methylphenyl)sulfonyl]-, ethyl ester
  • Ethyl p-tosylcarbamate
  • Ethyl (p-toluenesulfonyl)carbamate
  • Ethyl (p-tolylsulfonyl)carbamate
  • Tosylurethane
  • Ethyl N-(4-methylbenzenesulfonyl)carbamate
  • N-Tosylurethane
  • Ethyl N-tosylcarbamate
  • Ethyl tosylcarbamate

Work with Ethyl N-[(4-methylphenyl)sulfonyl]carbamate

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

Asulam3337-71-148 % similar Carbamic acid, N-[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-B]pyrazin-2-yl]-, ethyl ester1869118-24-047 % similar Ethyl P-toluenesulfonate80-40-045 % similar Ethyl N-phenylcarbamate101-99-543 % similar P-Toluenesulfonyl isocyanate4083-64-142 % similar Ethyl 4-methylbenzoate94-08-642 % similar Tosyl azide941-55-941 % similar Thiophanate23564-06-940 % similar

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

Same formula

2-Methoxy-5-(2-oxopropyl)benzenesulfonamide116091-63-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook