3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine

C96H86F3N41O12S7 — CID 159608765

About 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine

3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine (PubChem CID 159608765) has the molecular formula C96H86F3N41O12S7 and a molecular weight of 2287.48 g/mol. Its IUPAC name is 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
• PubChem CID: 159608765
• Molecular Formula: C96H86F3N41O12S7
• Molecular Weight: 2287.48 g/mol
• Exact Mass: 2285.54
• IUPAC Name: 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
• SMILES: CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3nc(N)sc23)c1-c1nn[nH]n1.Cc1ccc(-c2ccc(N)nc2C)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc3nc(N)[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3ccc(N)nc23)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3nc(N)ncc23)c(C2=NCN=N2)c1S(N)(=O)=O
• InChI: InChI=1S/C18H16N6O2S.C17H15N7O2S.C16H11F3N6O2S2.2C15H14N8O2S.C15H16N6O2S/c1-10-5-7-12(13-4-2-3-11-6-8-14(19)23-16(11)13)15(17(10)27(20,25)26)18-21-9-22-24-18;1-9-5-6-11(10-3-2-4-13-12(10)7-20-17(18)23-13)14(15(9)27(19,25)26)16-21-8-22-24-16;1-29(26,27)13-9(16(17,18)19)6-5-7(11(13)14-22-24-25-23-14)8-3-2-4-10-12(8)28-15(20)21-10;1-7-2-4-9(8-3-5-10-11(6-8)19-15(16)18-10)12(13(7)26(17,24)25)14-20-22-23-21-14;1-7-5-6-8(9-3-2-4-10-12(9)19-15(16)18-10)11(13(7)26(17,24)25)14-20-22-23-21-14;1-8-3-4-11(10-5-6-12(16)20-9(10)2)13(14(8)24(17,22)23)15-18-7-19-21-15/h2-8H,9H2,1H3,(H2,19,23)(H2,20,25,26);2-7H,8H2,1H3,(H2,18,20,23)(H2,19,25,26);2-6H,1H3,(H2,20,21)(H,22,23,24,25);2*2-6H,1H3,(H3,16,18,19)(H2,17,24,25)(H,20,21,22,23);3-6H,7H2,1-2H3,(H2,16,20)(H2,17,22,23)
• InChIKey: MMKGYRIBROTRPM-UHFFFAOYSA-N
• XLogP: 11.42
• TPSA: 887.49 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 44
• Rotatable Bonds: 18
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2287.48
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?

The IUPAC name of 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine (CID 159608765) is 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine.

What is the SMILES notation for 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?

The canonical SMILES for 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine is CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3nc(N)sc23)c1-c1nn[nH]n1.Cc1ccc(-c2ccc(N)nc2C)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2ccc3nc(N)[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3ccc(N)nc23)c(C2=NCN=N2)c1S(N)(=O)=O.Cc1ccc(-c2cccc3nc(N)ncc23)c(C2=NCN=N2)c1S(N)(=O)=O.

What is the InChIKey of 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?

The InChIKey is MMKGYRIBROTRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S.C17H15N7O2S.C16H11F3N6O2S2.2C15H14N8O2S.C15H16N6O2S/c1-10-5-7-12(13-4-2-3-11-6-8-14(19)23-16(11)13)15(17(10)27(20,25)26)18-21-9-22-24-18;1-9-5-6-11(10-3-2-4-13-12(10)7-20-17(18)23-13)14(15(9)27(19,25)26)16-21-8-22-24-16;1-29(26,27)13-9(16(17,18)19)6-5-7(11(13)14-22-24-25-23-14)8-3-2-4-10-12(8)28-15(20)21-10;1-7-2-4-9(8-3-5-10-11(6-8)19-15(16)18-10)12(13(7)26(17,24)25)14-20-22-23-21-14;1-7-5-6-8(9-3-2-4-10-12(9)19-15(16)18-10)11(13(7)26(17,24)25)14-20-22-23-21-14;1-8-3-4-11(10-5-6-12(16)20-9(10)2)13(14(8)24(17,22)23)15-18-7-19-21-15/h2-8H,9H2,1H3,(H2,19,23)(H2,20,25,26);2-7H,8H2,1H3,(H2,18,20,23)(H2,19,25,26);2-6H,1H3,(H2,20,21)(H,22,23,24,25);2*2-6H,1H3,(H3,16,18,19)(H2,17,24,25)(H,20,21,22,23);3-6H,7H2,1-2H3,(H2,16,20)(H2,17,22,23).

What are the key properties of 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?

3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine has a molecular weight of 2287.48 g/mol, XLogP of 11.42, 18 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-3H-benzimidazol-5-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-2-methyl-3-pyridinyl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinazolin-5-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-aminoquinolin-8-yl)-6-methyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 159608765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).