Chemical ID: 6123385

c1ccc(cc1)S(=O)(=O)Nc2c(nn[nH]2)C(=O)Nc3cccc4c3cccc4
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue