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Chemical ID: 3895279
Chemical ID:
3895279
Name [?]:
N-cyclohexyl-N'-cyclopropyl-N-ethyl-benzene-1,4-disulfonamide
SMILES [?]:
CCN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)S(=O)(=O)NC3CC3
InChi [?]:
InChI=1/C17H26N2O4S2/c1-2-19(15-6-4-3-5-7-15)25(22,23)17-12-10-16(11-13-17)24(20,21)18-14-8-9-14/h10-15,18H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,9,24,25,15,17,14,18,23,4,16,13,22,3,20,21,11,12,19,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(22,23)/CRV:24.6,25.6/rA:25cCCNCCCCCCSOOCCCCCCSOONCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s3;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;s22;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O4S2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2223 |
Area: | 570.649 |
Solvation: | -3.0439 |
Coulombic: | -19.8643 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.531 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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