Chemical ID: 6469581

CCCCNC(=O)CN(c1cccc(c1)C(F)(F)F)S(=O)(=O)C
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

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Descriptor Annotations

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