Chemical ID: 5566278

Cc1ccc(c(c1)C)S(=O)(=O)Nc2cccc(c2)SC
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

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Descriptor Annotations

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