Chemical ID: 7117027

c1cc(oc1)CNc2cc(c(cc2C(=O)[O-])S(=O)(=O)N)Cl
Chemical ID:
7117027
Name [?]:
4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate
SMILES [?]:
c1cc(oc1)CNc2cc(c(cc2C(=O)[O-])S(=O)(=O)N)Cl
InChi [?]:
InChI=1/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,5,12,9,6,3,13,10,8,11,14,21,20,7,15,16,18,19,4,17/E:(16,17)(18,19)/CRV:21.6/rA:21nCCCOCCNCCCCCCCOO-SOONCl/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s11;d17;d17;s17;s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10ClN2O5S-
All Atoms:31
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-31.3848
Area:490.284
Solvation:-43.6419
Coulombic:-35.1107
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.737
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.93
LogP (Chemaxon):1.66

Name Annotations

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Descriptor Annotations

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