123653-11-2
Product Name:
NS-398
Formula:
C13H18N2O5S
Synonyms:
N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide;N-[2-(Cyclohexyloxy)-4-nitrophenyl]methanesulfonamide;NS-398 - CAS 123653-11-2 - Calbiochem
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 314.36 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 314.09364285 g/mol |
| Monoisotopic Mass | 314.09364285 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 450 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
NS-398 is a C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2. It has a role as a cyclooxygenase 2 inhibitor and an antineoplastic agent. It is a sulfonamide, an aromatic ether and a C-nitro compound. It is functionally related to a 4-nitroaniline.