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Chemical ID: 4490834
Chemical ID:
4490834
Name [?]:
2,3,5,6-tetramethyl-N-[(4-morpholinocarbonylphenyl)methyl]benzenesulfonamide
SMILES [?]:
Cc1cc(c(c(c1C)S(=O)(=O)NCc2ccc(cc2)C(=O)N3CCOCC3)C)C
InChi [?]:
InChI=1/C22H28N2O4S/c1-15-13-16(2)18(4)21(17(15)3)29(26,27)23-14-19-5-7-20(8-6-19)22(25)24-9-11-28-12-10-24/h5-8,13,23H,9-12,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,8,28,15,19,16,18,23,27,24,26,3,13,2,4,7,5,14,17,6,20,12,22,21,10,11,25,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(17,18)(26,27)/CRV:29.6/rA:29nCCCCCCCCSOONCCCCCCCCONCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;d9;s9;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;s24;s25;s22s26;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O4S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.351 |
Area: | 623.45 |
Solvation: | -4.23525 |
Coulombic: | -38.6801 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 416.535 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.37 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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