4-Methyl-3-(methylsulfonamido)benzoic Acid - CAS 450368-33-9
Catalog: |
BB025750 |
Product Name: |
4-Methyl-3-(methylsulfonamido)benzoic Acid |
CAS: |
450368-33-9 |
Synonyms: |
3-(methanesulfonamido)-4-methylbenzoic acid; 3-(methanesulfonamido)-4-methylbenzoic acid |
IUPAC Name: | 3-(methanesulfonamido)-4-methylbenzoic acid |
Description: | 4-Methyl-3-(methylsulfonamido)benzoic Acid (CAS# 450368-33-9) is a useful research chemical. |
Molecular Weight: | 229.25 |
Molecular Formula: | C9H11NO4S |
Canonical SMILES: | CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C |
InChI: | InChI=1S/C9H11NO4S/c1-6-3-4-7(9(11)12)5-8(6)10-15(2,13)14/h3-5,10H,1-2H3,(H,11,12) |
InChI Key: | QIQLVVVOWQKYAU-UHFFFAOYSA-N |
LogP: | 2.21850 |
Publication Number | Title | Priority Date |
WO-2020017934-A1 | Colored curable resin composition, color filter, and display apparatus | 20180720 |
US-2021038575-A1 | Use of 1-phenyl-2-pyridinyl alkyl alcohol derivatives for treating cystic fibrosis | 20171228 |
US-2013156865-A1 | Potentiation induced by pde4 inhibitors in the treatment of leukemia | 20111216 |
WO-2013087749-A1 | Potentiation induced by pde4 inhibitors in the treatment of leukemia | 20111216 |
AU-2011287711-A1 | Dry powder formulation comprising a phosphodiesterase inhibitor | 20100803 |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.04087901 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.04087901 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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