4-Sulfamoylbutanoic Acid

C₄H₉NO₄SCAS 175476-52-5167.18 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfonamide

Properties

Molecular formula: C₄H₉NO₄S
Molar mass: 167.18 g/mol
Exact mass: 167.0252 Da
logP: -0.86Crippen estimate
Polar surface area: 97.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

175476-52-5

SMILES

C(CC(=O)O)CS(=O)(=O)N

InChIKey

OMPGKWICGUBROA-UHFFFAOYSA-N

InChI

InChI=1S/C4H9NO4S/c5-10(8,9)3-1-2-4(6)7/h1-3H2,(H,6,7)(H2,5,8,9)

Weigh it out

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

Names and synonyms

1 names

3-Carboxypropanesulfonamide

Work with 4-Sulfamoylbutanoic Acid

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

Glutaric acid110-94-154 % similar Adipic acid124-04-954 % similar Pimelic acid111-16-052 % similar Sebacic acid111-20-652 % similar Azelaic acid123-99-952 % similar Pentadecanedioic acid1460-18-052 % similar Undecanedioic acid1852-04-652 % similar Heptadecanedioic acid2424-90-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook