Chemical ID: 6837707

CC(C)(C)c1ccc(cc1)S(=O)(=O)[N-]c2ccc(c(c2)Cl)Cl
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

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