Chemical ID: 6149880

CCN(CC)S(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl
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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Descriptor Annotations

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