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Chemical ID: 4508353
Chemical ID:
4508353
Name [?]:
1-phenyl-N-(2,4,6-trimethylphenyl)-methanesulfonamide
SMILES [?]:
Cc1cc(c(c(c1)C)NS(=O)(=O)Cc2ccccc2)C
InChi [?]:
InChI=1/C16H19NO2S/c1-12-9-13(2)16(14(3)10-12)17-20(18,19)11-15-7-5-4-6-8-15/h4-10,17H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,20,17,16,18,15,19,7,3,13,2,6,4,14,5,9,11,12,10/E:(2,3)(5,6)(7,8)(9,10)(13,14)(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20349 |
Area: | 466.385 |
Solvation: | -2.45613 |
Coulombic: | -12.3643 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 289.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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