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Chemical ID: 6469581
Chemical ID:
6469581
Name [?]:
N-butyl-2-[methylsulfonyl-[3-(trifluoromethyl)phenyl]-amino]-acetamide
SMILES [?]:
CCCCNC(=O)CN(c1cccc(c1)C(F)(F)F)S(=O)(=O)C
InChi [?]:
InChI=1/C14H19F3N2O3S/c1-3-4-8-18-13(20)10-19(23(2,21)22)12-7-5-6-11(9-12)14(15,16)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,12,13,11,4,15,8,14,10,6,16,17,18,19,5,9,7,21,22,20/E:(15,16,17)(21,22)/CRV:23.6/rA:23cCCCCNCOCNCCCCCCCFFFSOOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s16;s16;s9;d20;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19F3N2O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.1119 |
Area: | 527.39 |
Solvation: | -4.07285 |
Coulombic: | -44.9538 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 352.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.27 |
LogP (Chemaxon): | 1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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