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Chemical ID: 5232151
Chemical ID:
5232151
Name [?]:
2-(benzenesulfonamido)-N,N-dimethyl-benzenecarbothioamide
SMILES [?]:
CN(C)C(=S)c1ccccc1NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C15H16N2O2S2/c1-17(2)15(20)13-10-6-7-11-14(13)16-21(18,19)12-8-4-3-5-9-12/h3-11,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,19,18,20,8,9,17,21,7,10,16,6,11,4,12,2,14,15,5,13/E:(1,2)(4,5)(8,9)(18,19)/CRV:21.6/rA:21nCNCCSCCCCCCNSOOCCCCCC/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;d13;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O2S2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1049 |
Area: | 477.38 |
Solvation: | -1.82963 |
Coulombic: | -22.2478 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.2 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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