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Chemical ID: 6123358
Chemical ID:
6123358
Name [?]:
5-(benzenesulfonamido)-N-(4-fluorophenyl)-1H-triazole-4-carboxamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C15H12FN5O3S/c16-10-6-8-11(9-7-10)17-15(22)13-14(19-21-18-13)20-25(23,24)12-4-2-1-3-5-12/h1-9H,(H,17,22)(H2,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,23,20,24,22,19,4,12,11,16,25,18,13,15,10,14,17,8,9,7/E:(2,3)(4,5)(6,7)(8,9)(23,24)/CRV:25.6/rA:25nCCCCCCSOONCCNNNCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;d11;s12;d13;s11s14;s12;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12FN5O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61602 |
Area: | 528.567 |
Solvation: | -3.59815 |
Coulombic: | -47.5596 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.352 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.85 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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