3-[(Cyclopropylamino)sulfonyl]benzoic Acid - CAS 852933-50-7
Catalog: |
BB037581 |
Product Name: |
3-[(Cyclopropylamino)sulfonyl]benzoic Acid |
CAS: |
852933-50-7 |
Synonyms: |
3-(cyclopropylsulfamoyl)benzoic acid; 3-(cyclopropylsulfamoyl)benzoic acid |
IUPAC Name: | 3-(cyclopropylsulfamoyl)benzoic acid |
Description: | 3-[(Cyclopropylamino)sulfonyl]benzoic Acid (CAS# 852933-50-7) is a useful research chemical. |
Molecular Weight: | 241.26 |
Molecular Formula: | C10H11NO4S |
Canonical SMILES: | C1CC1NS(=O)(=O)C2=CC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C10H11NO4S/c12-10(13)7-2-1-3-9(6-7)16(14,15)11-8-4-5-8/h1-3,6,8,11H,4-5H2,(H,12,13) |
InChI Key: | KBRLADOVWCDAEI-UHFFFAOYSA-N |
LogP: | 2.29720 |
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 |
WO-2016001452-A1 | Compounds, in particular for use in the treatment of a disease or condition for which a bromodomain inhibitor is indicated | 20140704 |
CN-102827124-A | Coumarins derivate and medicine composition thereof and application | 20110617 |
WO-2012171488-A1 | Coumarin derivative, pharmaceutical composition and use thereof | 20110617 |
AU-2005317870-A1 | Pyridine carboxamide derivatives for use as anticancer agents | 20041222 |
CA-2589773-A1 | Pyridine carboxamide derivatives for use as anticancer agents | 20041222 |
Complexity: | 369 |
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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