Chemical ID: 6806712

CCCCNS(=O)(=O)c1ccc(c(c1F)C(=O)[O-])F
Chemical ID:
6806712
Name [?]:
3-(butylsulfamoyl)-2,6-difluoro-benzoate
SMILES [?]:
CCCCNS(=O)(=O)c1ccc(c(c1F)C(=O)[O-])F
InChi [?]:
InChI=1/C11H13F2NO4S/c1-2-3-6-14-19(17,18)8-5-4-7(12)9(10(8)13)11(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,11,10,4,12,9,13,14,16,19,15,5,17,18,7,8,6/E:(15,16)(17,18)/CRV:19.6/rA:19nCCCCNSOOCCCCCCFCOO-F/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;s13;d16;s16;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12F2NO4S-
All Atoms:31
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-33.6374
Area:444.467
Solvation:-44.7491
Coulombic:-19.4381
Bond Count [?]
All:19
Single:13
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.28
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.68
LogP (Chemaxon):1.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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