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Chemical ID: 4028859
Chemical ID:
4028859
Name [?]:
N-(8-quinolyl)thiophene-2-sulfonamide
SMILES [?]:
c1cc2cccnc2c(c1)NS(=O)(=O)c3cccs3
InChi [?]:
InChI=1/C13H10N2O2S2/c16-19(17,12-7-3-9-18-12)15-11-6-1-4-10-5-2-8-14-13(10)11/h1-9,15H
InChi Info:
AuxInfo=1/0/N:1,5,17,2,4,10,16,6,18,3,9,15,8,7,11,13,14,19,12/E:(16,17)/CRV:19.6/rA:19nCCCCCCNCCCNSOOCCCCS/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s11;d12;d12;s12;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10N2O2S2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71468 |
Area: | 437.302 |
Solvation: | -2.21786 |
Coulombic: | -19.2949 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 290.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.88 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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