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Chemical ID: 6570700
Chemical ID:
6570700
Name [?]:
2,4-dichloro-5-(2,6-dimethylmorpholin-4-yl)carbonyl-N-(m-tolyl)benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)C(=O)N3CC(OC(C3)C)C
InChi [?]:
InChI=1/C20H22Cl2N2O4S/c1-12-5-4-6-15(7-12)23-29(26,27)19-8-16(17(21)9-18(19)22)20(25)24-10-13(2)28-14(3)11-24/h4-9,13-14,23H,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,4,3,5,7,13,16,27,23,2,26,24,6,14,15,17,12,20,19,18,8,22,21,10,11,25,9/E:(2,3)(10,11)(13,14)(26,27)/CRV:29.6/rA:29cCCCCCCCNSOOCCCCCCClClCONCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s15;s14;d20;s20;s22;s23;s24;s25;s22s26;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22Cl2N2O4S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.2605 |
Area: | 633.732 |
Solvation: | -4.58276 |
Coulombic: | -36.5912 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 457.371 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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