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Chemical ID: 7280961
Chemical ID:
7280961
Name [?]:
4-chloro-3-[(4-chlorophenyl)-methyl-sulfamoyl]-N-(2-methoxyphenyl)-benzamide
SMILES [?]:
CN(c1ccc(cc1)Cl)S(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C21H18Cl2N2O4S/c1-25(16-10-8-15(22)9-11-16)30(27,28)20-13-14(7-12-17(20)23)21(26)24-18-5-3-4-6-19(18)29-2/h3-13H,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,30,25,26,24,27,16,5,7,4,8,17,14,15,6,3,18,23,28,13,20,9,19,22,2,21,11,12,29,10/E:(8,9)(10,11)(27,28)/CRV:30.6/rA:30cCNCCCCCCClSOOCCCCCCClCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18Cl2N2O4S |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7695 |
Area: | 644.075 |
Solvation: | -4.33233 |
Coulombic: | -37.7726 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 465.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.41 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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