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Chemical ID: 5472681
Chemical ID:
5472681
Name [?]:
2,3-dichloro-N-(1-naphthyl)benzenesulfonamide
SMILES [?]:
c1ccc2c(c1)cccc2NS(=O)(=O)c3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C16H11Cl2NO2S/c17-13-8-4-10-15(16(13)18)22(20,21)19-14-9-3-6-11-5-1-2-7-12(11)14/h1-10,19H
InChi Info:
AuxInfo=1/0/N:1,2,8,17,6,7,3,18,9,16,5,4,19,10,15,20,22,21,11,13,14,12/E:(20,21)/CRV:22.6/rA:22nCCCCCCCCCCNSOOCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11Cl2NO2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.016 |
Area: | 491.686 |
Solvation: | -2.2762 |
Coulombic: | -14.6687 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 352.235 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.22 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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