Chemical ID: 5326716

CC(C(=O)Nc1ccc(cc1)S(=O)(=O)c2ccccc2)(C(F)(F)F)O
Chemical ID:
5326716
Name [?]:
3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-phenylsulfonylphenyl)-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cc1)S(=O)(=O)c2ccccc2)(C(F)(F)F)O
InChi [?]:
InChI=1/C16H14F3NO4S/c1-15(22,16(17,18)19)14(21)20-11-7-9-13(10-8-11)25(23,24)12-5-3-2-4-6-12/h2-10,22H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,7,11,8,10,6,15,9,3,2,21,22,23,24,5,4,25,13,14,12/E:(3,4)(5,6)(7,8)(9,10)(17,18,19)(23,24)/CRV:25.6/rA:25cCCCONCCCCCCSOOCCCCCCCFFFO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;d12;d12;s12;s15;d16;s17;d18;d15s19;s2;s21;s21;s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14F3NO4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.23853
Area:526.694
Solvation:-3.92882
Coulombic:-62.7002
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:373.348
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.85
LogP (Chemaxon):3.02

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Descriptor Annotations

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