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Chemical ID: 4460298
Chemical ID:
4460298
Name [?]:
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-ethoxy-benzenesulfonamide
SMILES [?]:
CCOc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C22H24N2O7S2/c1-4-31-17-7-12-20(13-8-17)32(25,26)23-16-5-10-19(11-6-16)33(27,28)24-21-14-9-18(29-2)15-22(21)30-3/h5-15,23-24H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,31,2,15,19,5,9,26,16,18,6,8,25,28,14,4,27,17,7,24,29,13,23,11,12,21,22,32,30,3,10,20/E:(5,6)(7,8)(10,11)(12,13)(25,26)(27,28)/CRV:32.6,33.6/rA:33nCCOCCCCCCSOONCCCCCCSOONCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s17;d20;d20;s20;s23;s24;d25;s26;d27;d24s28;s29;s30;s27;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O7S2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14869 |
Area: | 631.546 |
Solvation: | -6.63996 |
Coulombic: | -45.5565 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 492.567 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 3.58 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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