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Chemical ID: 7265926
Chemical ID:
7265926
Name [?]:
N-(2,3-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2cccc(c2)S(=O)(=O)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C22H22N2O4S/c1-15-6-4-9-21(16(15)2)23-22(25)17-7-5-8-20(14-17)29(26,27)24-18-10-12-19(28-3)13-11-18/h4-14,24H,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,8,29,4,14,3,13,15,5,23,27,24,26,17,2,7,12,22,25,16,6,10,9,21,11,19,20,28,18/E:(10,11)(12,13)(26,27)/CRV:29.6/rA:29nCCCCCCCCNCOCCCCCCSOONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N2O4S |
All Atoms: | 51 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0767 |
Area: | 620.216 |
Solvation: | -4.42865 |
Coulombic: | -41.2866 |
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): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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