4-[(Cyclopropylamino)sulfonyl]benzoic Acid - CAS 436092-71-6
Catalog: |
BB025433 |
Product Name: |
4-[(Cyclopropylamino)sulfonyl]benzoic Acid |
CAS: |
436092-71-6 |
Synonyms: |
4-(cyclopropylsulfamoyl)benzoic acid; 4-(cyclopropylsulfamoyl)benzoic acid |
IUPAC Name: | 4-(cyclopropylsulfamoyl)benzoic acid |
Description: | 4-[(Cyclopropylamino)sulfonyl]benzoic Acid (CAS# 436092-71-6) is a useful research chemical. |
Molecular Weight: | 241.26 |
Molecular Formula: | C10H11NO4S |
Canonical SMILES: | C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C10H11NO4S/c12-10(13)7-1-5-9(6-2-7)16(14,15)11-8-3-4-8/h1-2,5-6,8,11H,3-4H2,(H,12,13) |
InChI Key: | ZVLAZIIUYHMWIM-UHFFFAOYSA-N |
Solubility: | >36.2 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD04035198 |
LogP: | 2.29720 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2014287471-B2 | Fused piperidine amides as modulators of ion channels | 20130710 |
AU-2014287471-C1 | Fused piperidine amides as modulators of ion channels | 20130710 |
EP-3019478-B1 | Fused piperidine amides as modulators of ion channels | 20130710 |
EP-2804868-B1 | Pyran-spirocyclic piperidine amides as modulators of ion channels | 20120116 |
AU-2012229187-A1 | Morpholine-spirocyclic piperidine amides as modulators of ion channels | 20110314 |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.04087901 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.04087901 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 91.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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