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Chemical ID: 5513896
Chemical ID:
5513896
Name [?]:
1-(2-chlorophenyl)-N-(1,5-dimethylhexyl)methanesulfonamide
SMILES [?]:
CC(C)CCCC(C)NS(=O)(=O)Cc1ccccc1Cl
InChi [?]:
InChI=1/C15H24ClNO2S/c1-12(2)7-6-8-13(3)17-20(18,19)11-14-9-4-5-10-15(14)16/h4-5,9-10,12-13,17H,6-8,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,8,16,17,5,4,6,15,18,13,2,7,14,19,20,9,11,12,10/E:(1,2)(18,19)/CRV:20.6/rA:20cCCCCCCCCNSOOCCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;s7;s9;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24ClNO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5099 |
Area: | 519.599 |
Solvation: | -2.48005 |
Coulombic: | -13.3045 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.875 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.94 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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