Chemical ID: 6046505

CS(=O)(=O)c1ccc(cc1)C(C(CF)NC(=O)C(Cl)Cl)O
Chemical ID:
6046505
Name [?]:
2,2-dichloro-N-[1-(fluoromethyl)-2-hydroxy-2-(4-methylsulfonylphenyl)-ethyl]-acetamide
SMILES [?]:
CS(=O)(=O)c1ccc(cc1)C(C(CF)NC(=O)C(Cl)Cl)O
InChi [?]:
InChI=1/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,9,6,10,13,8,5,12,11,18,16,19,20,14,15,21,17,3,4,2/E:(2,3)(4,5)(13,14)(19,20)/CRV:21.6/rA:21cCSOOCCCCCCCCCFNCOCClClO/rB:s1;d2;d2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s12;s15;d16;s16;s18;s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14Cl2FNO4S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:6.05491
Area:527.181
Solvation:-7.1246
Coulombic:-43.8422
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:358.214
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.65
LogP (Chemaxon):0.59

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