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Chemical ID: 6837707
Chemical ID:
6837707
Name [?]:
(3,4-dichlorophenyl)-(4-tert-butylphenyl)sulfonyl-azanide
SMILES [?]:
CC(C)(C)c1ccc(cc1)S(=O)(=O)[N-]c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C16H16Cl2NO2S/c1-16(2,3)11-4-7-13(8-5-11)22(20,21)19-12-6-9-14(17)15(18)10-12/h4-10H,1-3H3/q-1
InChi Info:
AuxInfo=1/0/N:1,3,4,6,10,16,7,9,17,20,5,15,8,18,19,2,22,21,14,12,13,11/E:(1,2,3)(4,5)(7,8)(20,21)/CRV:19-1,22.6/rA:22nCCCCCCCCCCSOON-CCCCCCClCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16Cl2NO2S- |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.8447 |
Area: | 542.596 |
Solvation: | -32.4096 |
Coulombic: | 20.5946 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 357.275 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.62 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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