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Chemical ID: 4291620
Chemical ID:
4291620
Name [?]:
N-(2,5-dimethylphenyl)-2,4,6-triisopropyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)NS(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)C
InChi [?]:
InChI=1/C23H33NO2S/c1-14(2)19-12-20(15(3)4)23(21(13-19)16(5)6)27(25,26)24-22-11-17(7)9-10-18(22)8/h9-16,24H,1-8H3
InChi Info:
AuxInfo=1/0/N:22,23,19,20,25,26,1,27,3,4,7,16,14,21,18,24,2,5,15,17,13,6,12,8,10,11,9/E:(1,2)(3,4,5,6)(12,13)(15,16)(20,21)(25,26)/CRV:27.6/rA:27nCCCCCCCNSOOCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s18;s18;s15;s21;s21;s13;s24;s24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H33NO2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.444 |
Area: | 558.396 |
Solvation: | -1.51594 |
Coulombic: | -16.1617 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.58 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 7.17 |
LogP (Chemaxon): | 7.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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