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Chemical ID: 4392192
Chemical ID:
4392192
Name [?]:
5-(2-pyridylsulfamoyl)furan-2-carboxylate
SMILES [?]:
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
InChi [?]:
InChI=1/C10H8N2O5S/c13-10(14)7-4-5-9(17-7)18(15,16)12-8-3-1-2-6-11-8/h1-6H,(H,11,12)(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,3,14,5,11,16,4,7,17,18,9,10,15,8/E:(13,14)(15,16)/CRV:18.6/rA:18nCCCNCCNSOOCCCCOCOO-/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;d11;s12;d13;s11s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7N2O5S- |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -36.073 |
Area: | 416.754 |
Solvation: | -46.4918 |
Coulombic: | -25.8851 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.239 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.04 |
LogP (Chemaxon): | 0.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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