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Chemical ID: 5513449
Chemical ID:
5513449
Name [?]:
N-(2-benzylphenyl)-2,5-dimethyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)Nc2ccccc2Cc3ccccc3)C
InChi [?]:
InChI=1/C21H21NO2S/c1-16-12-13-17(2)21(14-16)25(23,24)22-20-11-7-6-10-19(20)15-18-8-4-3-5-9-18/h3-14,22H,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,22,21,23,15,14,20,24,16,13,3,4,7,18,2,5,19,17,12,6,11,9,10,8/E:(4,5)(8,9)(23,24)/CRV:25.6/rA:25nCCCCCCCSOONCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;d20;s21;d22;d19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8174 |
Area: | 523.894 |
Solvation: | -2.27995 |
Coulombic: | -15.6397 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 351.463 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.13 |
LogP (Chemaxon): | 5.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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