Chemical ID: 5352459

Cc1ccc(cc1C)NS(=O)(=O)c2ccc(cc2)OCC(=O)O
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

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