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Chemical ID: 4039658
Chemical ID:
4039658
Name [?]:
4-ethyl-N-(2-tert-butylphenyl)-benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(C)(C)C
InChi [?]:
InChI=1/C18H23NO2S/c1-5-14-10-12-15(13-11-14)22(20,21)19-17-9-7-6-8-16(17)18(2,3)4/h6-13,19H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,21,22,2,16,15,17,14,4,8,5,7,3,6,18,13,19,12,10,11,9/E:(2,3,4)(10,11)(12,13)(20,21)/CRV:22.6/rA:22nCCCCCCCCSOONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5825 |
Area: | 490.263 |
Solvation: | -1.67402 |
Coulombic: | -15.3677 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.447 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.22 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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