200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 326866-55-1
326866-55-1 | 3-(3,4-DIHYDRO-2H-QUINOLINE-1-SULFONYL)-BENZOIC ACID
CAS No: 326866-55-1 Catalog No: AG00C6LZ MDL No:MFCD02702725
Product Description
Catalog Number:
AG00C6LZ
Chemical Name:
3-(3,4-DIHYDRO-2H-QUINOLINE-1-SULFONYL)-BENZOIC ACID
CAS Number:
326866-55-1
Molecular Formula:
C16H15NO4S
Molecular Weight:
317.3596
MDL Number:
MFCD02702725
IUPAC Name:
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid
InChI:
InChI=1S/C16H15NO4S/c18-16(19)13-6-3-8-14(11-13)22(20,21)17-10-4-7-12-5-1-2-9-15(12)17/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19)
InChI Key:
QWYQADXOPOXONA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)N1CCCc2c1cccc2
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.359g/mol
Monoisotopic Mass:
317.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: highly potent and selective inhibitors of the type 5 17-β-hydroxysteroid dehydrogenase AKR1C3. | Journal of medicinal chemistry 20120913 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.