Chemical ID: 7125555

c1cc(cc(c1)S(=O)(=O)NCC2CCCO2)C(=O)[O-]
Chemical ID:
7125555
Name [?]:
3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NCC2CCCO2)C(=O)[O-]
InChi [?]:
InChI=1/C12H15NO5S/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1,3,5,7,10,13H,2,4,6,8H2,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,14,2,13,6,15,4,11,3,12,5,17,10,18,19,8,9,16,7/E:(14,15)(16,17)/CRV:19.6/rA:19cCCCCCCSOONCCCCCOCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s14;s12s15;s3;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14NO5S-
All Atoms:33
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:-33.0234
Area:466.872
Solvation:-44.6952
Coulombic:-20.9165
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:284.309
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.36
LogP (Chemaxon):0.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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