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Chemical ID: 5889935
Chemical ID:
5889935
Name [?]:
5-(4-bromophenyl)sulfonylamino-N-isobutyl-2-(4-methyl-1-piperidyl)-benzamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)NCC(C)C)NS(=O)(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C23H30BrN3O3S/c1-16(2)15-25-23(28)21-14-19(6-9-22(21)27-12-10-17(3)11-13-27)26-31(29,30)20-7-4-18(24)5-8-20/h4-9,14,16-17,26H,10-13,15H2,1-3H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:19,20,1,27,29,10,26,30,9,3,7,4,6,12,17,18,2,28,11,25,13,8,14,31,16,21,5,15,23,24,22/E:(1,2)(4,5)(7,8)(10,11)(12,13)(29,30)/CRV:31.6/rA:31nCCCCNCCCCCCCCCONCCCCNSOOCCCCCCBr/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s18;s11;s21;d22;d22;s22;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30BrN3O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.495 |
Area: | 689.937 |
Solvation: | -3.7534 |
Coulombic: | -40.5261 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 508.473 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.58 |
LogP (Chemaxon): | 4.83 |
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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