Chemical ID: 5963496

CCC(C)N(Cc1ccc(cc1)OS(=O)(=O)c2ccc(cc2)F)S(=O)(=O)c3ccccc3
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

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Descriptor Annotations

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