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Chemical ID: 4760498
Chemical ID:
4760498
Name [?]:
N-(5-methyl-2H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILES [?]:
Cc1cc([nH]n1)NS(=O)(=O)c2cccs2
InChi [?]:
InChI=1/C8H9N3O2S2/c1-6-5-7(10-9-6)11-15(12,13)8-3-2-4-14-8/h2-5H,1H3,(H2,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,3,2,4,11,6,5,7,9,10,15,8/E:(12,13)/CRV:15.6/rA:15nCCCCNNNSOOCCCCS/rB:s1;s2;d3;s4;d2s5;s4;s7;d8;d8;s8;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9N3O2S2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.97264 |
Area: | 390.373 |
Solvation: | -2.78669 |
Coulombic: | -20.9177 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 243.308 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.18 |
LogP (Chemaxon): | 0.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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