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Chemical ID: 7007672
Chemical ID:
7007672
Name [?]:
3-chloro-N-(4-chlorophenyl)-4-fluoro-benzenesulfonamide
SMILES [?]:
c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)Cl)F)Cl
InChi [?]:
InChI=1/C12H8Cl2FNO2S/c13-8-1-3-9(4-2-8)16-19(17,18)10-5-6-12(15)11(14)7-10/h1-7,16H
InChi Info:
AuxInfo=1/0/N:2,4,1,5,12,13,16,3,6,11,15,14,19,17,18,7,9,10,8/E:(1,2)(3,4)(17,18)/CRV:19.6/rA:19nCCCCCCNSOOCCCCCCClFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8Cl2FNO2S |
All Atoms: | 27 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.72008 |
Area: | 460.832 |
Solvation: | -2.80071 |
Coulombic: | -16.5441 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 320.167 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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