Chemical ID: 6831624

c1ccc(cc1)[N-]S(=O)(=O)c2ccc(cc2)F
Chemical ID:
6831624
Name [?]:
(4-fluorophenyl)sulfonyl-phenyl-azanide
SMILES [?]:
c1ccc(cc1)[N-]S(=O)(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C12H9FNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9H/q-1
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,15,12,16,14,4,11,17,7,9,10,8/E:(2,3)(4,5)(6,7)(8,9)(15,16)/CRV:14-1,17.6/rA:17nCCCCCCN-SOOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9FNO2S-
All Atoms:26
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-24.2841
Area:405.032
Solvation:-34.4099
Coulombic:20.9971
Bond Count [?]
All:18
Single:10
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.27
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.72
LogP (Chemaxon):2.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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