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Chemical ID: 5963496
Chemical ID:
5963496
Name [?]:
N-[[4-(4-fluorophenyl)sulfonyloxyphenyl]methyl]-N-sec-butyl-benzenesulfonamide
SMILES [?]:
CCC(C)N(Cc1ccc(cc1)OS(=O)(=O)c2ccc(cc2)F)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C23H24FNO5S2/c1-3-18(2)25(31(26,27)22-7-5-4-6-8-22)17-19-9-13-21(14-10-19)30-32(28,29)23-15-11-20(24)12-16-23/h4-16,18H,3,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,30,29,31,28,32,8,12,19,21,9,11,18,22,6,3,7,20,10,27,17,23,5,25,26,15,16,13,24,14/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(26,27)(28,29)/CRV:31.6,32.6/rA:32cCCCCNCCCCCCCOSOOCCCCCCFSOOCCCCCC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;s5;d24;d24;s24;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24FNO5S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.0358 |
Area: | 595.83 |
Solvation: | -3.85997 |
Coulombic: | -22.5889 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 477.571 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.18 |
LogP (Chemaxon): | 5.52 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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