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Chemical ID: 4181718
Chemical ID:
4181718
Name [?]:
4-methyl-3-morpholinosulfonyl-benzamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)N2CCOCC2)C(=O)N
InChi [?]:
InChI=1/C12H16N2O4S/c1-9-2-3-10(12(13)15)8-11(9)19(16,17)14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3,(H2,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,16,13,15,6,2,5,7,17,19,11,18,9,10,14,8/E:(4,5)(6,7)(16,17)/CRV:19.6/rA:19nCCCCCCCSOONCCOCCCON/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;s13;s14;s11s15;s5;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O4S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.84819 |
Area: | 436.397 |
Solvation: | -4.06173 |
Coulombic: | -40.7394 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 284.333 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.18 |
LogP (Chemaxon): | -0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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