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Chemical ID: 6469598
Chemical ID:
6469598
Name [?]:
4-ethoxy-N-[4-(p-tolylsulfamoyl)phenyl]-benzenesulfonamide
SMILES [?]:
CCOc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(cc3)C
InChi [?]:
InChI=1/C21H22N2O5S2/c1-3-28-19-10-14-21(15-11-19)30(26,27)23-18-8-12-20(13-9-18)29(24,25)22-17-6-4-16(2)5-7-17/h4-15,22-23H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,26,28,25,29,15,19,5,9,16,18,6,8,27,24,14,4,17,7,23,13,21,22,11,12,3,20,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(24,25)(26,27)/CRV:29.6,30.6/rA:30nCCOCCCCCCSOONCCCCCCSOONCCCCCCC/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O5S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2393 |
Area: | 626.288 |
Solvation: | -4.41786 |
Coulombic: | -31.9589 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 446.542 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.73 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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