Chemical ID: 6546610

c1cc(cc(c1)S(=O)(=O)Nc2cccc(c2)C(F)(F)F)C(=O)N3CCOCC3
Chemical ID:
6546610
Name [?]:
3-morpholinocarbonyl-N-[3-(trifluoromethyl)phenyl]-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)Nc2cccc(c2)C(F)(F)F)C(=O)N3CCOCC3
InChi [?]:
InChI=1/C18H17F3N2O4S/c19-18(20,21)14-4-2-5-15(12-14)22-28(25,26)16-6-1-3-13(11-16)17(24)23-7-9-27-10-8-23/h1-6,11-12,22H,7-10H2
InChi Info:
AuxInfo=1/0/N:1,13,2,14,12,6,24,28,25,27,4,16,3,15,11,5,21,17,18,19,20,10,23,22,8,9,26,7/E:(7,8)(9,10)(19,20,21)(25,26)/CRV:28.6/rA:28nCCCCCCSOONCCCCCCCFFFCONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;s3;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17F3N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.00554
Area:565.012
Solvation:-5.11977
Coulombic:-55.7192
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:414.4
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.79
LogP (Chemaxon):2.29

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Descriptor Annotations

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