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Chemical ID: 4069882
Chemical ID:
4069882
Name [?]:
N-(4-isopropoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILES [?]:
CC(C)Oc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C16H16F3NO4S/c1-11(2)23-13-5-3-12(4-6-13)20-25(21,22)15-9-7-14(8-10-15)24-16(17,18)19/h3-11,20H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,9,6,10,17,19,16,20,2,8,5,18,15,22,23,24,25,11,13,14,4,21,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(17,18,19)(21,22)/CRV:25.6/rA:25nCCCOCCCCCCNSOOCCCCCCOCFFF/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16F3NO4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99748 |
Area: | 530.415 |
Solvation: | -3.2629 |
Coulombic: | -52.1416 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.68 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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