Chemical ID: 5810995

Cc1cc(c(c(c1)C)S(=O)(=O)Nc2ccc(cc2)OCC(=O)O)C
Chemical ID:
5810995
Name [?]:
2-[4-(2,4,6-trimethylphenyl)sulfonylaminophenoxy]acetic acid
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)Nc2ccc(cc2)OCC(=O)O)C
InChi [?]:
InChI=1/C17H19NO5S/c1-11-8-12(2)17(13(3)9-11)24(21,22)18-14-4-6-15(7-5-14)23-10-16(19)20/h4-9,18H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,24,14,18,15,17,7,3,20,2,6,4,13,16,21,5,12,22,23,10,11,19,9/E:(2,3)(4,5)(6,7)(8,9)(12,13)(19,20)(21,22)/CRV:24.6/rA:24nCCCCCCCCSOONCCCCCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO5S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.46975
Area:521.002
Solvation:-4.5553
Coulombic:-46.3872
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.402
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.9
LogP (Chemaxon):3.3

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Descriptor Annotations

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