Products for Research Use Only

WM 3835 25mg

CAT: 0628-A22472-25Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A22472-25Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2229025-70-9

Chemical Information

N'-(4-Fluoro-5-methyl-[1,1'-biphenyl]-3-carbonyl)-3-hydroxybenzenesulfonohydrazide
CAS Number2229025-70-9
PubChem CID134581412
IUPAC Name2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide
Molecular FormulaC20H17FN2O4S
Molecular Weight400.4
XLogP3.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity633
SMILES
CC1=CC(=CC(=C1F)C(=O)NNS(=O)(=O)C2=CC=CC(=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C20H17FN2O4S/c1-13-10-15(14-6-3-2-4-7-14)11-18(19(13)21)20(25)22-23-28(26,27)17-9-5-8-16(24)12-17/h2-12,23-24H,1H3,(H,22,25)
InChIKey
KVJFJJXCBRSCDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-(4-Fluoro-5-methyl-[1,1'-biphenyl]-3-carbonyl)-3-hydroxybenzenesulfonohydrazide
CAS: 2229025-70-9
CID: 134581412
Formula: C20H17FN2O4S
MW: 400.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight400.4
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass400.08930636
Monoisotopic Mass400.08930636
Topological Polar Surface Area104 Ų
Heavy Atom Count28
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes