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Chemical ID: 6510467
Chemical ID:
6510467
Name [?]:
N-(2-allylphenyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2CC=C
InChi [?]:
InChI=1/C16H17NO2S/c1-3-6-14-7-4-5-8-16(14)17-20(18,19)15-11-9-13(2)10-12-15/h3-5,7-12,17H,1,6H2,2H3
InChi Info:
AuxInfo=1/0/N:20,1,19,15,14,18,16,13,3,7,4,6,2,17,5,12,11,9,10,8/E:(9,10)(11,12)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.71765 |
Area: | 458.825 |
Solvation: | -1.75298 |
Coulombic: | -16.1051 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 287.378 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.23 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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