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Chemical ID: 5566278
Chemical ID:
5566278
Name [?]:
2,4-dimethyl-N-(3-methylsulfanylphenyl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(c(c1)C)S(=O)(=O)Nc2cccc(c2)SC
InChi [?]:
InChI=1/C15H17NO2S2/c1-11-7-8-15(12(2)9-11)20(17,18)16-13-5-4-6-14(10-13)19-3/h4-10,16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,20,15,14,16,3,4,7,18,2,6,13,17,5,12,10,11,19,9/E:(17,18)/CRV:20.6/rA:20nCCCCCCCCSOONCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2S2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1609 |
Area: | 480.684 |
Solvation: | -1.85625 |
Coulombic: | -14.6358 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 307.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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