Chemical ID: 6469598

CCOc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(cc3)C
Chemical ID:
6469598
Name [?]:
4-ethoxy-N-[4-(p-tolylsulfamoyl)phenyl]-benzenesulfonamide
SMILES [?]:
CCOc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(cc3)C
InChi [?]:
InChI=1/C21H22N2O5S2/c1-3-28-19-10-14-21(15-11-19)30(26,27)23-18-8-12-20(13-9-18)29(24,25)22-17-6-4-16(2)5-7-17/h4-15,22-23H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,26,28,25,29,15,19,5,9,16,18,6,8,27,24,14,4,17,7,23,13,21,22,11,12,3,20,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(24,25)(26,27)/CRV:29.6,30.6/rA:30nCCOCCCCCCSOONCCCCCCSOONCCCCCCC/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O5S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.2393
Area:626.288
Solvation:-4.41786
Coulombic:-31.9589
Bond Count [?]
All:32
Single:19
Double:13
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:446.542
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.18
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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