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Chemical ID: 7307061
Chemical ID:
7307061
Name [?]:
N-benzyl-4-methyl-3-morpholinocarbonyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1C(=O)N2CCOCC2)S(=O)(=O)NCc3ccccc3
InChi [?]:
InChI=1/C19H22N2O4S/c1-15-7-8-17(13-18(15)19(22)21-9-11-25-12-10-21)26(23,24)20-14-16-5-3-2-4-6-16/h2-8,13,20H,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,22,26,3,4,11,15,12,14,6,20,2,21,5,7,8,19,10,9,17,18,13,16/E:(3,4)(5,6)(9,10)(11,12)(23,24)/CRV:26.6/rA:26nCCCCCCCCONCCOCCSOONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s5;d16;d16;s16;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O4S |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1191 |
Area: | 576.576 |
Solvation: | -4.29529 |
Coulombic: | -38.5507 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 374.455 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.17 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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