N-Benzyl-4-chloro-5-sulfamoylanthranilic acid - CAS 2114-68-3
Catalog: |
BB016651 |
Product Name: |
N-Benzyl-4-chloro-5-sulfamoylanthranilic acid |
CAS: |
2114-68-3 |
Synonyms: |
2-(benzylamino)-4-chloro-5-sulfamoylbenzoic acid |
IUPAC Name: | 2-(benzylamino)-4-chloro-5-sulfamoylbenzoic acid |
Description: | N-Benzyl-4-chloro-5-sulfamoylanthranilic acid (CAS# 2114-68-3 ) is a useful research chemical. |
Molecular Weight: | 340.78 |
Molecular Formula: | C14H13ClN2O4S |
Canonical SMILES: | C1=CC=C(C=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl |
InChI: | InChI=1S/C14H13ClN2O4S/c15-11-7-12(17-8-9-4-2-1-3-5-9)10(14(18)19)6-13(11)22(16,20)21/h1-7,17H,8H2,(H,18,19)(H2,16,20,21) |
InChI Key: | QQLNFWFHBAFHPR-UHFFFAOYSA-N |
Boiling Point: | 592.5 °C at 760 mmHg |
Density: | 1.528 g/cm3 |
MDL: | MFCD01321358 |
LogP: | 4.15180 |
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 |
EP-1697312-B1 | Hydroxamic acid esters and pharmaceutical use thereof | 20031203 |
RU-2006123459-A | NEW ETHERS OF HYDROXAMIC ACIDS AND THEIR PHARMACEUTICAL APPLICATION | 20031203 |
US-2007244117-A1 | Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof | 20031203 |
CA-1216788-A | A magnesium supplemented diuretic composition | 19840604 |
US-4855289-A | Combination of two active substances | 19840604 |
Complexity: | 488 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 340.0284558 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 340.0284558 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 118 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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