Chemical ID: 6796738

CCCCCNS(=O)(=O)c1cc(ccc1F)C(=O)[O-]
Chemical ID:
6796738
Name [?]:
4-fluoro-3-(pentylsulfamoyl)benzoate
SMILES [?]:
CCCCCNS(=O)(=O)c1cc(ccc1F)C(=O)[O-]
InChi [?]:
InChI=1/C12H16FNO4S/c1-2-3-4-7-14-19(17,18)11-8-9(12(15)16)5-6-10(11)13/h5-6,8,14H,2-4,7H2,1H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,4,13,14,5,11,12,15,10,17,16,6,18,19,8,9,7/E:(15,16)(17,18)/CRV:19.6/rA:19nCCCCCNSOOCCCCCCFCOO-/rB:s1;s2;s3;s4;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;s12;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15FNO4S-
All Atoms:34
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-29.8251
Area:473.255
Solvation:-41.6565
Coulombic:-19.5811
Bond Count [?]
All:19
Single:13
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:288.316
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.09
LogP (Chemaxon):2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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