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Chemical ID: 6123386
Chemical ID:
6123386
Name [?]:
5-(benzenesulfonamido)-N-methyl-1H-triazole-4-carboxamide
SMILES [?]:
CNC(=O)c1c([nH]nn1)NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C10H11N5O3S/c1-11-10(16)8-9(13-15-12-8)14-19(17,18)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,16)(H2,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,14,5,6,3,2,9,7,10,8,4,12,13,11/E:(3,4)(5,6)(17,18)/CRV:19.6/rA:19nCNCOCCNNNNSOOCCCCCC/rB:s1;s2;d3;s3;d5;s6;s7;s5d8;s6;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N5O3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.54165 |
Area: | 442.133 |
Solvation: | -2.51168 |
Coulombic: | -44.1236 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 281.292 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.13 |
LogP (Chemaxon): | -0.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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