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Chemical ID: 4076592
Chemical ID:
4076592
Name [?]:
3,4-dichloro-N-(3-hydroxyphenyl)-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)O)NS(=O)(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C12H9Cl2NO3S/c13-11-5-4-10(7-12(11)14)19(17,18)15-8-2-1-3-9(16)6-8/h1-7,15-16H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,4,17,3,5,12,15,16,19,18,8,7,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCONSOOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9Cl2NO3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91149 |
Area: | 469.444 |
Solvation: | -2.82461 |
Coulombic: | -28.8351 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 318.176 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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