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Chemical ID: 7125555
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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