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Chemical ID: 6469673
Chemical ID:
6469673
Name [?]:
N-propyl-2-[p-tolylsulfonyl-[3-(trifluoromethyl)phenyl]-amino]-acetamide
SMILES [?]:
CCCNC(=O)CN(c1cccc(c1)C(F)(F)F)S(=O)(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C19H21F3N2O3S/c1-3-11-23-18(25)13-24(16-6-4-5-15(12-16)19(20,21)22)28(26,27)17-9-7-14(2)8-10-17/h4-10,12H,3,11,13H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,11,12,10,24,26,23,27,3,14,7,25,13,9,22,5,15,16,17,18,4,8,6,20,21,19/E:(7,8)(9,10)(20,21,22)(26,27)/CRV:28.6/rA:28cCCCNCOCNCCCCCCCFFFSOOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s15;s15;s8;d19;d19;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21F3N2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8674 |
Area: | 585.46 |
Solvation: | -3.76913 |
Coulombic: | -48.3936 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 414.443 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.59 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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