Chemical ID: 4725875

CCOc1ccc(cc1C(=O)O)S(=O)(=O)N2CCC(CC2)c3ccccc3
Chemical ID:
4725875
Name [?]:
2-ethoxy-5-[(4-phenyl-1-piperidyl)sulfonyl]benzoic acid
SMILES [?]:
CCOc1ccc(cc1C(=O)O)S(=O)(=O)N2CCC(CC2)c3ccccc3
InChi [?]:
InChI=1/C20H23NO5S/c1-2-26-19-9-8-17(14-18(19)20(22)23)27(24,25)21-12-10-16(11-13-21)15-6-4-3-5-7-15/h3-9,14,16H,2,10-13H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,23,27,6,5,18,20,17,21,8,22,19,7,9,4,10,16,11,12,14,15,3,13/E:(4,5)(6,7)(10,11)(12,13)(22,23)(24,25)/CRV:27.6/rA:27nCCOCCCCCCCOOSOONCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s7;d13;d13;s13;s16;s17;s18;s19;s16s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.156
Area:596.145
Solvation:-4.74762
Coulombic:-42.0269
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:389.466
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.31
LogP (Chemaxon):3.05

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Descriptor Annotations

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