4-(Difluoromethoxy)benzenesulfonamide - CAS 874781-09-6
Catalog: |
BB038475 |
Product Name: |
4-(Difluoromethoxy)benzenesulfonamide |
CAS: |
874781-09-6 |
Synonyms: |
4-(difluoromethoxy)benzenesulfonamide; 4-(difluoromethoxy)benzenesulfonamide |
IUPAC Name: | 4-(difluoromethoxy)benzenesulfonamide |
Description: | 4-(Difluoromethoxy)benzenesulfonamide (CAS# 874781-09-6) is a useful research chemical. |
Molecular Weight: | 223.20 |
Molecular Formula: | C7H7F2NO3S |
Canonical SMILES: | C1=CC(=CC=C1OC(F)F)S(=O)(=O)N |
InChI: | InChI=1S/C7H7F2NO3S/c8-7(9)13-5-1-3-6(4-2-5)14(10,11)12/h1-4,7H,(H2,10,11,12) |
InChI Key: | BBBQHNZWCPUJNW-UHFFFAOYSA-N |
Boiling Point: | 344.8 °C at 760 mmHg |
Density: | 1.452 g/cm3 |
Appearance: | White to almost white powder to crystal |
MDL: | MFCD03407973 |
LogP: | 2.71650 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020102576-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
TW-202033504-A | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
EP-3880659-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
CN-107098846-B | N-acyl sulfonamide FBPase inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 20160226 |
CA-2803900-A1 | Combinations of kinase inhibitors for the treatment of cancer | 20100709 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.01147058 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.01147058 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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