ChemDB: Chemical Search
Download
Chemical ID: 7357478
Chemical ID:
7357478
Name [?]:
1-(2-fluorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILES [?]:
c1ccc(c(c1)F)S(=O)(=O)N2CCCC2C(=O)NCCc3ccc(cc3)S(=O)(=O)N
InChi [?]:
InChI=1/C19H22FN3O5S2/c20-16-4-1-2-6-18(16)30(27,28)23-13-3-5-17(23)19(24)22-12-11-14-7-9-15(10-8-14)29(21,25)26/h1-2,4,6-10,17H,3,5,11-13H2,(H,22,24)(H2,21,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,13,6,14,3,22,26,23,25,20,19,12,21,24,5,15,4,16,7,30,18,11,17,28,29,9,10,27,8/E:(7,8)(9,10)(25,26)(27,28)/CRV:29.6,30.6/rA:30cCCCCCCFSOONCCCCCONCCCCCCCCSOON/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;d27;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22FN3O5S2 |
All Atoms: | 52 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.92958 |
Area: | 647.378 |
Solvation: | -6.25488 |
Coulombic: | -47.6196 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 455.526 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 1.38 |
LogP (Chemaxon): | 1.42 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|