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Chemical ID: 4067971
Chemical ID:
4067971
Name [?]:
4-methyl-N-(2-tert-butylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(C)(C)C
InChi [?]:
InChI=1/C17H21NO2S/c1-13-9-11-14(12-10-13)21(19,20)18-16-8-6-5-7-15(16)17(2,3)4/h5-12,18H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,20,21,15,14,16,13,3,7,4,6,2,5,17,12,18,11,9,10,8/E:(2,3,4)(9,10)(11,12)(19,20)/CRV:21.6/rA:21nCCCCCCCSOONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95858 |
Area: | 465.612 |
Solvation: | -1.68172 |
Coulombic: | -15.0116 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 303.42 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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