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Chemical ID: 7361388
Chemical ID:
7361388
Name [?]:
4-chloro-N-(3-chloro-4-methyl-phenyl)-3-[(4-chlorophenyl)-methyl-sulfamoyl]-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2ccc(c(c2)S(=O)(=O)N(C)c3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C21H17Cl3N2O3S/c1-13-3-7-16(12-19(13)24)25-21(27)14-4-10-18(23)20(11-14)30(28,29)26(2)17-8-5-15(22)6-9-17/h3-12H,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,22,3,13,25,27,4,24,28,14,17,6,2,12,26,5,23,15,7,16,10,29,30,8,9,21,11,19,20,18/E:(5,6)(8,9)(28,29)/CRV:30.6/rA:30cCCCCCCCClNCOCCCCCCSOONCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;d18;s18;s21;s21;s23;d24;s25;d26;d23s27;s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17Cl3N2O3S |
All Atoms: | 47 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0788 |
Area: | 664.32 |
Solvation: | -3.52919 |
Coulombic: | -30.2181 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 483.795 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.34 |
LogP (Chemaxon): | 5.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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