3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

C114H113N49O15S8 — CID 159633215

About 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 159633215) has the molecular formula C114H113N49O15S8 and a molecular weight of 2666.02 g/mol. Its IUPAC name is 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
• PubChem CID: 159633215
• Molecular Formula: C114H113N49O15S8
• Molecular Weight: 2666.02 g/mol
• Exact Mass: 2663.74
• IUPAC Name: 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
• SMILES: Cc1cc(N)ncc1-c1ccc(C)c(S(N)(=O)=O)c1C1=NCN=N1.Cc1ccc(-c2ccc(-c3c[nH]c(=O)[nH]3)cc2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(-c3cnc(N)n3C)cc2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/C3CNC3)cc2)c(C2N=NCN2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(N)cn2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3cnc(N)nc23)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O
• InChI: InChI=1S/C19H23N7O2S.C18H18N8O2S.C17H15N7O3S.C17H15N7O2S.C15H13N7O2S2.C15H16N6O2S.C13H13N7O2S/c1-11-2-7-15(16(17(11)29(21,27)28)19-23-10-24-26-19)12-3-5-13(6-4-12)18(20)25-14-8-22-9-14;1-10-3-8-13(15(16(10)29(20,27)28)17-22-24-25-23-17)11-4-6-12(7-5-11)14-9-21-18(19)26(14)2;1-9-2-7-12(14(15(9)28(18,26)27)16-21-23-24-22-16)10-3-5-11(6-4-10)13-8-19-17(25)20-13;1-9-5-6-11(12-4-2-3-10-7-20-17(18)23-14(10)12)13(15(9)27(19,25)26)16-21-8-22-24-16;1-7-5-6-8(9-3-2-4-10-12(9)18-15(16)25-10)11(13(7)26(17,23)24)14-19-21-22-20-14;1-8-3-4-10(11-6-18-12(16)5-9(11)2)13(14(8)24(17,22)23)15-19-7-20-21-15;1-7-2-4-9(10-5-3-8(14)6-16-10)11(12(7)23(15,21)22)13-17-19-20-18-13/h2-7,14,19,22-23H,8-10H2,1H3,(H2,20,25)(H2,21,27,28);3-9H,1-2H3,(H2,19,21)(H2,20,27,28)(H,22,23,24,25);2-8H,1H3,(H2,18,26,27)(H2,19,20,25)(H,21,22,23,24);2-7H,8H2,1H3,(H2,18,20,23)(H2,19,25,26);2-6H,1H3,(H2,16,18)(H2,17,23,24)(H,19,20,21,22);3-6H,7H2,1-2H3,(H2,16,18)(H2,17,22,23);2-6H,14H2,1H3,(H2,15,21,22)(H,17,18,19,20)
• InChIKey: MPKBEDDJRDQDKV-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 1061.30 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 51
• Rotatable Bonds: 25
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2666.02
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?

The IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 159633215) is 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.

What is the SMILES notation for 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?

The canonical SMILES for 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1cc(N)ncc1-c1ccc(C)c(S(N)(=O)=O)c1C1=NCN=N1.Cc1ccc(-c2ccc(-c3c[nH]c(=O)[nH]3)cc2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(-c3cnc(N)n3C)cc2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(/C(N)=N/C3CNC3)cc2)c(C2N=NCN2)c1S(N)(=O)=O.Cc1ccc(-c2ccc(N)cn2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3cnc(N)nc23)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.

What is the InChIKey of 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?

The InChIKey is MPKBEDDJRDQDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S.C18H18N8O2S.C17H15N7O3S.C17H15N7O2S.C15H13N7O2S2.C15H16N6O2S.C13H13N7O2S/c1-11-2-7-15(16(17(11)29(21,27)28)19-23-10-24-26-19)12-3-5-13(6-4-12)18(20)25-14-8-22-9-14;1-10-3-8-13(15(16(10)29(20,27)28)17-22-24-25-23-17)11-4-6-12(7-5-11)14-9-21-18(19)26(14)2;1-9-2-7-12(14(15(9)28(18,26)27)16-21-23-24-22-16)10-3-5-11(6-4-10)13-8-19-17(25)20-13;1-9-5-6-11(12-4-2-3-10-7-20-17(18)23-14(10)12)13(15(9)27(19,25)26)16-21-8-22-24-16;1-7-5-6-8(9-3-2-4-10-12(9)18-15(16)25-10)11(13(7)26(17,23)24)14-19-21-22-20-14;1-8-3-4-10(11-6-18-12(16)5-9(11)2)13(14(8)24(17,22)23)15-19-7-20-21-15;1-7-2-4-9(10-5-3-8(14)6-16-10)11(12(7)23(15,21)22)13-17-19-20-18-13/h2-7,14,19,22-23H,8-10H2,1H3,(H2,20,25)(H2,21,27,28);3-9H,1-2H3,(H2,19,21)(H2,20,27,28)(H,22,23,24,25);2-8H,1H3,(H2,18,26,27)(H2,19,20,25)(H,21,22,23,24);2-7H,8H2,1H3,(H2,18,20,23)(H2,19,25,26);2-6H,1H3,(H2,16,18)(H2,17,23,24)(H,19,20,21,22);3-6H,7H2,1-2H3,(H2,16,18)(H2,17,22,23);2-6H,14H2,1H3,(H2,15,21,22)(H,17,18,19,20).

What are the key properties of 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?

3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 2666.02 g/mol, XLogP of 9.56, 25 rotatable bonds, 21 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-4-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[2-(4,5-dihydro-3H-1,2,4-triazol-3-yl)-4-methyl-3-sulfamoylphenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 159633215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).