ChemDB: Chemical Search
Download
Chemical ID: 7243680
Chemical ID:
7243680
Name [?]:
2-bromo-5-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoic acid
SMILES [?]:
c1cc(c(cc1S(=O)(=O)NCC2CCCO2)C(=O)O)Br
InChi [?]:
InChI=1/C12H14BrNO5S/c13-11-4-3-9(6-10(11)12(15)16)20(17,18)14-7-8-2-1-5-19-8/h3-4,6,8,14H,1-2,5,7H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:14,13,1,2,15,5,11,12,6,4,3,17,20,10,18,19,8,9,16,7/E:(15,16)(17,18)/CRV:20.6/rA:20cCCCCCCSOONCCCCCOCOOBr/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s14;s12s15;s4;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14BrNO5S |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.06552 |
Area: | 489.657 |
Solvation: | -4.1759 |
Coulombic: | -46.1931 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.64 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|