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Chemical ID: 6510275
Chemical ID:
6510275
Name [?]:
N-(1-benzyl-3-chloro-2-oxo-propyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl
InChi [?]:
InChI=1/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,3,7,4,6,13,22,2,14,5,12,20,23,11,21,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(21,22)/CRV:23.6/rA:23cCCCCCCCSOONCCCCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s12;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.90805 |
Area: | 505.716 |
Solvation: | -4.73485 |
Coulombic: | -20.1658 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 351.848 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.16 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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