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Chemical ID: 7268253
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
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Experimental Annotations
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Descriptor Annotations
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