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Chemical ID: 6123384
Chemical ID:
6123384
Name [?]:
5-(benzenesulfonamido)-N-benzyl-1H-triazole-4-carboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2c([nH]nn2)NS(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C16H15N5O3S/c22-16(17-11-12-7-3-1-4-8-12)14-15(19-21-18-14)20-25(23,24)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,22)(H2,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,6,22,24,3,5,21,25,7,4,20,11,12,9,8,15,13,16,14,10,18,19,17/E:(3,4)(5,6)(7,8)(9,10)(23,24)/CRV:25.6/rA:25nCCCCCCCNCOCCNNNNSOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s12;s13;s11d14;s12;s16;d17;d17;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N5O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1088 |
Area: | 554.992 |
Solvation: | -2.76605 |
Coulombic: | -46.0916 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.388 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.84 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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