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Chemical ID: 4659293
Chemical ID:
4659293
Name [?]:
N-[3-(3,4,5-trimethoxyphenyl)aminoquinoxalin-2-yl]benzenesulfonamide
SMILES [?]:
COc1cc(cc(c1OC)OC)Nc2c(nc3ccccc3n2)NS(=O)(=O)c4ccccc4
InChi [?]:
InChI=1/C23H22N4O5S/c1-30-19-13-15(14-20(31-2)21(19)32-3)24-22-23(26-18-12-8-7-11-17(18)25-22)27-33(28,29)16-9-5-4-6-10-16/h4-14H,1-3H3,(H,24,25)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,12,10,31,30,32,20,19,29,33,21,18,4,6,5,28,22,17,3,7,8,14,15,13,23,16,24,26,27,2,11,9,25/E:(1,2)(5,6)(9,10)(13,14)(19,20)(28,29)(30,31)/CRV:33.6/rA:33nCOCCCCCCOCOCNCCNCCCCCCNNSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;d14s22;s15;s24;d25;d25;s25;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N4O5S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02468 |
Area: | 646.761 |
Solvation: | -7.14434 |
Coulombic: | -58.0824 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 466.511 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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