Chemical ID: 4460298

CCOc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(cc3OC)OC
Chemical ID:
4460298
Name [?]:
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-ethoxy-benzenesulfonamide
SMILES [?]:
CCOc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C22H24N2O7S2/c1-4-31-17-7-12-20(13-8-17)32(25,26)23-16-5-10-19(11-6-16)33(27,28)24-21-14-9-18(29-2)15-22(21)30-3/h5-15,23-24H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,31,2,15,19,5,9,26,16,18,6,8,25,28,14,4,27,17,7,24,29,13,23,11,12,21,22,32,30,3,10,20/E:(5,6)(7,8)(10,11)(12,13)(25,26)(27,28)/CRV:32.6,33.6/rA:33nCCOCCCCCCSOONCCCCCCSOONCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s17;d20;d20;s20;s23;s24;d25;s26;d27;d24s28;s29;s30;s27;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O7S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.14869
Area:631.546
Solvation:-6.63996
Coulombic:-45.5565
Bond Count [?]
All:35
Single:22
Double:13
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:492.567
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:3.58
LogP (Chemaxon):2.75

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Descriptor Annotations

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