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Chemical ID: 4067656
Chemical ID:
4067656
Name [?]:
N-(3,5-dimethoxyphenyl)-4-isopropyl-benzenesulfonamide
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)Nc2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C17H21NO4S/c1-12(2)13-5-7-17(8-6-13)23(19,20)18-14-9-15(21-3)11-16(10-14)22-4/h5-12,18H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,23,5,9,6,8,19,15,17,2,4,14,18,16,7,13,11,12,20,22,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(15,16)(19,20)(21,22)/CRV:23.6/rA:23nCCCCCCCCCSOONCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;s20;s16;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72174 |
Area: | 525.533 |
Solvation: | -4.41658 |
Coulombic: | -26.9799 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 335.419 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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