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Chemical ID: 4460187
Chemical ID:
4460187
Name [?]:
methyl 2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetate
SMILES [?]:
COC(=O)COc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C15H14FNO5S/c1-21-15(18)10-22-13-6-8-14(9-7-13)23(19,20)17-12-4-2-11(16)3-5-12/h2-9,17H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,21,18,22,8,12,9,11,5,20,17,7,10,3,23,16,4,14,15,2,6,13/E:(2,3)(4,5)(6,7)(8,9)(19,20)/CRV:23.6/rA:23nCOCOCOCCCCCCSOONCCCCCCF/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;d13;s13;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO5S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.34944 |
Area: | 516.55 |
Solvation: | -5.56432 |
Coulombic: | -41.4345 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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