Chemical ID: 7243680

c1cc(c(cc1S(=O)(=O)NCC2CCCO2)C(=O)O)Br
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

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Descriptor Annotations

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