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Chemical ID: 6475545
Chemical ID:
6475545
Name [?]:
2,5-dimethyl-N-[(4-morpholinocarbonylphenyl)methyl]benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)NCc2ccc(cc2)C(=O)N3CCOCC3)C
InChi [?]:
InChI=1/C20H24N2O4S/c1-15-3-4-16(2)19(13-15)27(24,25)21-14-17-5-7-18(8-6-17)20(23)22-9-11-26-12-10-22/h3-8,13,21H,9-12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,3,4,14,18,15,17,22,26,23,25,7,12,2,5,13,16,6,19,11,21,20,9,10,24,8/E:(5,6)(7,8)(9,10)(11,12)(24,25)/CRV:27.6/rA:27nCCCCCCCSOONCCCCCCCCONCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;s24;s21s25;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6806 |
Area: | 599.034 |
Solvation: | -4.29527 |
Coulombic: | -38.8901 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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