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Chemical ID: 6733103
Chemical ID:
6733103
Name [?]:
4-ethoxy-N-(4-methoxyphenyl)-benzenesulfonamide
SMILES [?]:
CCOc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C15H17NO4S/c1-3-20-14-8-10-15(11-9-14)21(17,18)16-12-4-6-13(19-2)7-5-12/h4-11,16H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,15,19,16,18,5,9,6,8,14,17,4,7,13,11,12,20,3,10/E:(4,5)(6,7)(8,9)(10,11)(17,18)/CRV:21.6/rA:21nCCOCCCCCCSOONCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO4S |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85617 |
Area: | 490.815 |
Solvation: | -4.4142 |
Coulombic: | -26.6109 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 307.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.97 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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