Chemical ID: 5600572

CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OC2CCCCCCCCCCC2
Chemical ID:
5600572
Name [?]:
cyclododecyl 4-(dimethylsulfamoyl)benzoate
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OC2CCCCCCCCCCC2
InChi [?]:
InChI=1/C21H33NO4S/c1-22(2)27(24,25)20-16-14-18(15-17-20)21(23)26-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-17,19H,3-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,22,21,23,20,24,19,25,18,26,17,27,9,11,8,12,10,16,7,13,2,14,5,6,15,4/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(24,25)/CRV:27.6/rA:27nCNCSOOCCCCCCCOOCCCCCCCCCCCC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H33NO4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.9956
Area:580.55
Solvation:-2.51817
Coulombic:-29.7063
Bond Count [?]
All:28
Single:22
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.557
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.29
LogP (Chemaxon):4.68

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Descriptor Annotations

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