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Chemical ID: 6167569
Chemical ID:
6167569
Name [?]:
N-isopropyl-2-[phenylsulfonyl-[3-(trifluoromethyl)phenyl]-amino]-acetamide
SMILES [?]:
CC(C)NC(=O)CN(c1cccc(c1)C(F)(F)F)S(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C18H19F3N2O3S/c1-13(2)22-17(24)12-23(27(25,26)16-9-4-3-5-10-16)15-8-6-7-14(11-15)18(19,20)21/h3-11,13H,12H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,25,24,26,11,12,10,23,27,14,7,2,13,9,22,5,15,16,17,18,4,8,6,20,21,19/E:(1,2)(4,5)(9,10)(19,20,21)(25,26)/CRV:27.6/rA:27cCCCNCOCNCCCCCCCFFFSOOCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s15;s15;s8;d19;d19;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19F3N2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.145 |
Area: | 556.145 |
Solvation: | -3.75866 |
Coulombic: | -48.3883 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 400.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.26 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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