Chemical ID: 7268253

CC(=O)c1cccc(c1)S(=O)(=O)NCC(F)(F)F
Chemical ID:
7268253
Name [?]:
3-acetyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILES [?]:
CC(=O)c1cccc(c1)S(=O)(=O)NCC(F)(F)F
InChi [?]:
InChI=1/C10H10F3NO3S/c1-7(15)8-3-2-4-9(5-8)18(16,17)14-6-10(11,12)13/h2-5,14H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,9,14,2,4,8,15,16,17,18,13,3,11,12,10/E:(11,12,13)(16,17)/CRV:18.6/rA:18nCCOCCCCCCSOONCCFFF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;d10;d10;s10;s13;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10F3NO3S
All Atoms:28
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.38438
Area:427.12
Solvation:-4.29363
Coulombic:-35.8059
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:281.253
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.14
LogP (Chemaxon):1.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue