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Chemical ID: 6361921
Chemical ID:
6361921
Name [?]:
N-(2-isopropyl-6-methyl-phenyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2c(cccc2C(C)C)C
InChi [?]:
InChI=1/C17H21NO2S/c1-12(2)16-7-5-6-14(4)17(16)18-21(19,20)15-10-8-13(3)9-11-15/h5-12,18H,1-4H3
InChi Info:
AuxInfo=1/0/N:19,20,1,21,15,14,16,3,7,4,6,18,2,13,5,17,12,11,9,10,8/E:(1,2)(8,9)(10,11)(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;s13;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.092 |
Area: | 467.697 |
Solvation: | -1.60042 |
Coulombic: | -14.7964 |
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: | 4.57 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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