Chemical ID: 7130539

CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)[N-]c2ccc(cc2)S(=O)(=O)N)C(C)C
Chemical ID:
7130539
Name [?]:
(4-sulfamoylphenyl)-(2,4,6-triisopropylphenyl)sulfonyl-azanide
SMILES [?]:
CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)[N-]c2ccc(cc2)S(=O)(=O)N)C(C)C
InChi [?]:
InChI=1/C21H29N2O4S2/c1-13(2)16-11-19(14(3)4)21(20(12-16)15(5)6)29(26,27)23-17-7-9-18(10-8-17)28(22,24)25/h7-15H,1-6H3,(H2,22,24,25)/q-1
InChi Info:
AuxInfo=1/1/N:1,3,11,12,28,29,18,22,19,21,9,5,2,10,27,4,17,20,8,6,7,26,16,24,25,14,15,23,13/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(14,15)(19,20)(24,25)(26,27)/CRV:23-1,28.6,29.6/rA:29nCCCCCCCCCCCCSOON-CCCCCCSOONCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s10;s7;d13;d13;s13;s16;s17;d18;s19;d20;d17s21;s20;d23;d23;s23;s6;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N2O4S2-
All Atoms:58
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:-17.4323
Area:639.489
Solvation:-33.4195
Coulombic:6.09798
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:437.598
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.81
LogP (Chemaxon):4.82

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