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Chemical ID: 6123385
Chemical ID:
6123385
Name [?]:
5-(benzenesulfonamido)-N-(1-naphthyl)-1H-triazole-4-carboxamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C19H15N5O3S/c25-19(20-16-12-6-8-13-7-4-5-11-15(13)16)17-18(22-24-21-17)23-28(26,27)14-9-2-1-3-10-14/h1-12H,(H,20,25)(H2,21,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,27,26,21,28,22,3,5,25,20,23,4,24,19,12,11,16,18,13,15,10,14,17,8,9,7/E:(2,3)(9,10)(26,27)/CRV:28.6/rA:28nCCCCCCSOONCCNNNCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;d11;s12;d13;s11s14;s12;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N5O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5336 |
Area: | 576.288 |
Solvation: | -2.87357 |
Coulombic: | -45.7544 |
Bond Count [?]
All: | 31 |
Single: | 18 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 393.42 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.96 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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