3-[(tert-Butylamino)sulfonyl]benzoic Acid - CAS 222409-98-5
Catalog: |
BB017468 |
Product Name: |
3-[(tert-Butylamino)sulfonyl]benzoic Acid |
CAS: |
222409-98-5 |
Synonyms: |
3-(tert-butylsulfamoyl)benzoic acid; 3-(tert-butylsulfamoyl)benzoic acid |
IUPAC Name: | 3-(tert-butylsulfamoyl)benzoic acid |
Description: | 3-[(tert-Butylamino)sulfonyl]benzoic Acid (CAS# 222409-98-5) is a useful research chemical. |
Molecular Weight: | 257.31 |
Molecular Formula: | C11H15NO4S |
Canonical SMILES: | CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)O |
InChI: | InChI=1S/C11H15NO4S/c1-11(2,3)12-17(15,16)9-6-4-5-8(7-9)10(13)14/h4-7,12H,1-3H3,(H,13,14) |
InChI Key: | SDXFCMYPDCRZHF-UHFFFAOYSA-N |
MDL: | MFCD06335785 |
LogP: | 2.93330 |
Publication Number | Title | Priority Date |
WO-2020180770-A1 | Bicyclic heterocyclyl compounds and uses thereof | 20190301 |
TW-I448462-B | Hedgehog (HEDGEHOG) message transduction pyridyl inhibitor | 20080411 |
EP-2013183-A1 | Derivatives of 4-(2-amino-1-hydroxiethyl)phenol as agonists of the beta2 adrenergic receptor | 20060427 |
EP-2013183-B1 | Derivatives of 4-(2-amino-1-hydroxiethyl)phenol as agonists of the beta2 adrenergic receptor | 20060427 |
ES-2375661-T3 | DERIVATIVES OF 4- (2-AMINO-1-HYDROXYETHYL) PHENOL AS AGENISTS OF THE BETA2 ADRENERGIC RECEIVER. | 20060427 |
Complexity: | 377 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.07217913 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.07217913 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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