5-Methyl-2-(methylsulfonamido)benzoic Acid - CAS 1017051-55-6
Catalog: |
BB000615 |
Product Name: |
5-Methyl-2-(methylsulfonamido)benzoic Acid |
CAS: |
1017051-55-6 |
Synonyms: |
2-(methanesulfonamido)-5-methylbenzoic acid; 2-(methanesulfonamido)-5-methylbenzoic acid |
IUPAC Name: | 2-(methanesulfonamido)-5-methylbenzoic acid |
Description: | 5-Methyl-2-(methylsulfonamido)benzoic Acid (CAS# 1017051-55-6 ) is a useful research chemical. |
Molecular Weight: | 229.25 |
Molecular Formula: | C9H11NO4S |
Canonical SMILES: | CC1=CC(=C(C=C1)NS(=O)(=O)C)C(=O)O |
InChI: | InChI=1S/C9H11NO4S/c1-6-3-4-8(10-15(2,13)14)7(5-6)9(11)12/h3-5,10H,1-2H3,(H,11,12) |
InChI Key: | IAVAVGYTZPNJLD-UHFFFAOYSA-N |
LogP: | 2.21850 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2018076234-A | Pyrazolo [1,5-a] pyrimidine compounds | 20150316 |
WO-2016148145-A1 | PYRAZOLO[1,5-a]PYRIMIDINE COMPOUND | 20150316 |
AU-2015359562-A1 | Piperidine substituted tricyclic pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) | 20141208 |
AU-2015359562-B2 | Piperidine substituted tricyclic pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) | 20141208 |
CA-2963054-A1 | Piperidine substituted tricyclic pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (rsv) | 20141208 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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