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Chemical ID: 6845117
Chemical ID:
6845117
Name [?]:
(4-chloro-2,5-dimethyl-phenyl)sulfonyl-[2-(trifluoromethyl)phenyl]-azanide
SMILES [?]:
Cc1cc(c(cc1Cl)C)S(=O)(=O)[N-]c2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C15H12ClF3NO2S/c1-9-8-14(10(2)7-12(9)16)23(21,22)20-13-6-4-3-5-11(13)15(17,18)19/h3-8H,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,9,17,16,18,15,6,3,2,5,19,7,14,4,20,8,21,22,23,13,11,12,10/E:(17,18,19)(21,22)/CRV:20-1,23.6/rA:23nCCCCCCCClCSOON-CCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClF3NO2S- |
All Atoms: | 35 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.5011 |
Area: | 494.861 |
Solvation: | -31.8727 |
Coulombic: | 1.62163 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 362.775 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.55 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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