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Chemical ID: 7264278
Chemical ID:
7264278
Name [?]:
2-chloro-N-(2-dimethylamino-2-phenyl-ethyl)-5-(methyl-phenyl-sulfamoyl)-benzamide
SMILES [?]:
CN(C)C(CNC(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C24H26ClN3O3S/c1-27(2)23(18-10-6-4-7-11-18)17-26-24(29)21-16-20(14-15-22(21)25)32(30,31)28(3)19-12-8-5-9-13-19/h4-16,23H,17H2,1-3H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,20,30,24,29,31,23,25,28,32,22,26,12,13,10,5,27,21,11,9,14,4,7,15,6,2,19,8,17,18,16/E:(1,2)(6,7)(8,9)(10,11)(12,13)(30,31)/CRV:32.6/rA:32cCNCCCNCOCCCCCCClSOONCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s11;d16;d16;s16;s19;s19;s21;d22;s23;d24;d21s25;s4;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26ClN3O3S |
All Atoms: | 58 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.2713 |
Area: | 641.016 |
Solvation: | -3.75412 |
Coulombic: | -36.3231 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 472.0 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.1 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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