Chemical ID: 5963509

CC(C)N(Cc1ccc(cc1)OS(=O)(=O)c2ccc(cc2)F)S(=O)(=O)c3ccccc3
Chemical ID:
5963509
Name [?]:
N-[[4-(4-fluorophenyl)sulfonyloxyphenyl]methyl]-N-isopropyl-benzenesulfonamide
SMILES [?]:
CC(C)N(Cc1ccc(cc1)OS(=O)(=O)c2ccc(cc2)F)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C22H22FNO5S2/c1-17(2)24(30(25,26)21-6-4-3-5-7-21)16-18-8-12-20(13-9-18)29-31(27,28)22-14-10-19(23)11-15-22/h3-15,17H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,29,28,30,27,31,7,11,18,20,8,10,17,21,5,2,6,19,9,26,16,22,4,24,25,14,15,12,23,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(25,26)(27,28)/CRV:30.6,31.6/rA:31cCCCNCCCCCCCOSOOCCCCCCFSOOCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;d13;s13;s16;d17;s18;d19;d16s20;s19;s4;d23;d23;s23;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22FNO5S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.1793
Area:603.051
Solvation:-3.89698
Coulombic:-22.2984
Bond Count [?]
All:33
Single:20
Double:13
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:463.544
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.83
LogP (Chemaxon):5.06

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Descriptor Annotations

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