Chemical ID: 5232151

CN(C)C(=S)c1ccccc1NS(=O)(=O)c2ccccc2
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

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Descriptor Annotations

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