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Chemical ID: 4430013
Chemical ID:
4430013
Name [?]:
4-chloro-N-(3-methylsulfanylphenyl)-benzenesulfonamide
SMILES [?]:
CSc1cccc(c1)NS(=O)(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H12ClNO2S2/c1-18-12-4-2-3-11(9-12)15-19(16,17)13-7-5-10(14)6-8-13/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,15,17,14,18,8,16,7,3,13,19,9,11,12,2,10/E:(5,6)(7,8)(16,17)/CRV:19.6/rA:19nCSCCCCCCNSOOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12ClNO2S2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0775 |
Area: | 481.158 |
Solvation: | -1.95144 |
Coulombic: | -14.6234 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 313.825 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.08 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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