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Chemical ID: 6747808
Chemical ID:
6747808
Name [?]:
(4-methoxyphenyl)-[5-[(4-methoxyphenyl)carbamoyl]-2-methyl-phenyl]sulfonyl-azanide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)[N-]c2ccc(cc2)OC)C(=O)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C22H21N2O5S/c1-15-4-5-16(22(25)23-17-6-10-19(28-2)11-7-17)14-21(15)30(26,27)24-18-8-12-20(29-3)13-9-18/h4-14H,1-3H3,(H,23,25)/q-1
InChi Info:
AuxInfo=1/1/N:1,30,19,3,4,24,28,13,17,25,27,14,16,6,2,5,23,12,26,15,7,20,22,11,21,9,10,29,18,8/E:(6,7)(8,9)(10,11)(12,13)(26,27)/CRV:24-1,30.6/rA:30nCCCCCCCSOON-CCCCCCOCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s18;s5;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21N2O5S- |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.5557 |
Area: | 643.791 |
Solvation: | -36.6505 |
Coulombic: | -10.6462 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 425.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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