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Chemical ID: 5639769
Chemical ID:
5639769
Name [?]:
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-(p-tolyl)benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccc(c(c2)S(=O)(=O)Nc3ccc(cc3)OC)C
InChi [?]:
InChI=1/C22H22N2O4S/c1-15-4-8-18(9-5-15)23-22(25)17-7-6-16(2)21(14-17)29(26,27)24-19-10-12-20(28-3)13-11-19/h4-14,24H,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,29,28,3,7,13,12,4,6,22,26,23,25,16,2,14,11,5,21,24,15,9,8,20,10,18,19,27,17/E:(4,5)(8,9)(10,11)(12,13)(26,27)/CRV:29.6/rA:29nCCCCCCCNCOCCCCCCSOONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;d17;s17;s20;s21;d22;s23;d24;d21s25;s24;s27;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N2O4S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8855 |
Area: | 617.942 |
Solvation: | -4.56307 |
Coulombic: | -41.1481 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 410.487 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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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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