Chemical ID: 7744917

c1cc(ccc1C(F)(F)F)NS(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3
Chemical ID:
7744917
Name [?]:
None
SMILES [?]:
c1cc(ccc1C(F)(F)F)NS(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3
InChi [?]:
InChI=1/C18H15F3N2O3S/c19-18(20,21)13-3-5-14(6-4-13)22-27(25,26)15-8-11-2-1-7-23-16(24)10-12(9-15)17(11)23/h3-6,8-9,22H,1-2,7,10H2
InChi Info:
AuxInfo=1/0/N:26,27,1,5,2,4,25,16,20,21,17,19,6,3,15,22,18,7,8,9,10,11,24,23,13,14,12/E:(3,4)(5,6)(19,20,21)(25,26)/CRV:27.6/rA:27nCCCCCCCFFFNSOOCCCCCCCCONCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s3;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s19;s21;d22;s18s22;s24;s25;s17s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15F3N2O3S
All Atoms:42
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:9.32776
Area:531.4
Solvation:-3.95724
Coulombic:-45.1822
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.75
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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