Chemical ID: 7357478

c1ccc(c(c1)F)S(=O)(=O)N2CCCC2C(=O)NCCc3ccc(cc3)S(=O)(=O)N
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

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Descriptor Annotations

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