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Chemical ID: 5513776
Chemical ID:
5513776
Name [?]:
N-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILES [?]:
COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)C(=O)NCc3ccccc3OC
InChi [?]:
InChI=1/C22H22N2O5S/c1-28-19-11-9-18(10-12-19)24-30(26,27)20-13-7-16(8-14-20)22(25)23-15-17-5-3-4-6-21(17)29-2/h3-14,24H,15H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,30,25,26,24,27,15,17,5,7,4,8,14,18,22,16,23,6,3,13,28,19,21,9,20,11,12,2,29,10/E:(7,8)(9,10)(11,12)(13,14)(26,27)/CRV:30.6/rA:30nCOCCCCCCNSOOCCCCCCCONCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N2O5S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5563 |
Area: | 649.923 |
Solvation: | -5.69178 |
Coulombic: | -49.3718 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 426.487 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.66 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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