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Chemical ID: 5603020
Chemical ID:
5603020
Name [?]:
2,3-dichloro-N-(4-chloro-2-fluoro-phenyl)-benzenesulfonamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Nc2ccc(cc2F)Cl
InChi [?]:
InChI=1/C12H7Cl3FNO2S/c13-7-4-5-10(9(16)6-7)17-20(18,19)11-3-1-2-8(14)12(11)15/h1-6,17H
InChi Info:
AuxInfo=1/0/N:1,6,2,15,14,17,16,5,18,13,3,4,20,7,8,19,12,10,11,9/E:(18,19)/CRV:20.6/rA:20nCCCCCCClClSOONCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H7Cl3FNO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96074 |
Area: | 476.03 |
Solvation: | -2.94001 |
Coulombic: | -16.7577 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 354.612 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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