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Chemical ID: 6149880
Chemical ID:
6149880
Name [?]:
4-chloro-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl
InChi [?]:
InChI=1/C11H13ClF3NO2S/c1-3-16(4-2)19(17,18)8-5-6-10(12)9(7-8)11(13,14)15/h5-7H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,11,14,9,13,12,15,19,16,17,18,3,7,8,6/E:(1,2)(3,4)(13,14,15)(17,18)/CRV:19.6/rA:19nCCNCCSOOCCCCCCCFFFCl/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;s15;s15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13ClF3NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31111 |
Area: | 441.73 |
Solvation: | -2.73214 |
Coulombic: | -25.3406 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 315.74 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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