Chemical ID: 4882600

COc1cc(cc(c1)OC)Nc2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F
Chemical ID:
4882600
Name [?]:
N-[3-(3,5-dimethoxyphenyl)aminoquinoxalin-2-yl]-4-fluoro-benzenesulfonamide
SMILES [?]:
COc1cc(cc(c1)OC)Nc2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,10,18,17,19,16,28,30,27,31,4,6,8,29,5,3,7,26,20,15,12,13,32,11,21,14,22,24,25,2,9,23/E:(1,2)(7,8)(9,10)(11,12)(16,17)(28,29)(30,31)/CRV:32.6/rA:32nCOCCCCCCOCNCCNCCCCCCNNSOOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s13;s22;d23;d23;s23;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19FN4O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:9.48249
Area:631.791
Solvation:-6.31229
Coulombic:-53.1073
Bond Count [?]
All:35
Single:22
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:454.475
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.8
LogP (Chemaxon):3.88

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Descriptor Annotations

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