Products for Research Use Only

Ro 67-7476 1mg

CAT: 0628-A20562-1Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A20562-1Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
298690-60-5

Chemical Information

(2S)-2-(4-Fluorophenyl)-1-(4-methylbenzene-1-sulfonyl)pyrrolidine
CAS Number298690-60-5
PubChem CID32681978
IUPAC Name(2S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
Molecular FormulaC17H18FNO2S
Molecular Weight319.4
XLogP3.6
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity460
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=CC=C(C=C3)F
InChI
InChI=1S/C17H18FNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3/t17-/m0/s1
InChIKey
DAEHFYNGSSBGSS-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-(4-Fluorophenyl)-1-(4-methylbenzene-1-sulfonyl)pyrrolidine
CAS: 298690-60-5
CID: 32681978
Formula: C17H18FNO2S
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass319.10422815
Monoisotopic Mass319.10422815
Topological Polar Surface Area45.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes