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Chemical ID: 6795057
Chemical ID:
6795057
Name [?]:
methyl 2-[4-[4-(methoxycarbonylmethylsulfamoyl)phenoxy]phenyl]sulfonylaminoacetate
SMILES [?]:
COC(=O)CNS(=O)(=O)c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)NCC(=O)OC
InChi [?]:
InChI=1/C18H20N2O9S2/c1-27-17(21)11-19-30(23,24)15-7-3-13(4-8-15)29-14-5-9-16(10-6-14)31(25,26)20-12-18(22)28-2/h3-10,19-20H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,12,14,18,22,11,15,19,21,5,27,13,17,10,20,3,28,6,26,4,29,8,9,24,25,2,30,16,7,23/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24,25,26)(27,28)(30,31)/CRV:30.6,31.6/rA:31nCOCOCNSOOCCCCCCOCCCCCCSOONCCOOC/rB:s1;s2;d3;s3;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;d23;d23;s23;s26;s27;d28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O9S2 |
All Atoms: | 51 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9846 |
Area: | 699.566 |
Solvation: | -6.50455 |
Coulombic: | -67.0671 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 472.491 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 11 |
XLogP: | 0.61 |
LogP (Chemaxon): | 0.38 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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