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Chemical ID: 5391905
Chemical ID:
5391905
Name [?]:
N-(3,4-dimethylphenyl)-2-methyl-5-morpholinocarbonyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1C)NS(=O)(=O)c2cc(ccc2C)C(=O)N3CCOCC3
InChi [?]:
InChI=1/C20H24N2O4S/c1-14-5-7-18(12-16(14)3)21-27(24,25)19-13-17(6-4-15(19)2)20(23)22-8-10-26-11-9-22/h4-7,12-13,21H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,8,17,3,16,4,23,27,24,26,6,14,2,18,7,15,5,13,20,9,22,21,11,12,25,10/E:(8,9)(10,11)(24,25)/CRV:27.6/rA:27nCCCCCCCCNSOOCCCCCCCCONCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60511 |
Area: | 543.531 |
Solvation: | -3.98315 |
Coulombic: | -37.6511 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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