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Chemical ID: 5352459
Chemical ID:
5352459
Name [?]:
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetic acid
SMILES [?]:
Cc1ccc(cc1C)NS(=O)(=O)c2ccc(cc2)OCC(=O)O
InChi [?]:
InChI=1/C16H17NO5S/c1-11-3-4-13(9-12(11)2)17-23(20,21)15-7-5-14(6-8-15)22-10-16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,15,17,14,18,6,20,2,7,5,16,13,21,9,22,23,11,12,19,10/E:(5,6)(7,8)(18,19)(20,21)/CRV:23.6/rA:23nCCCCCCCCNSOOCCCCCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO5S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6207 |
Area: | 528.142 |
Solvation: | -4.58286 |
Coulombic: | -46.1215 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.376 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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