3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C87H98N34O10S7 — CID 159909710

About 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 159909710) has the molecular formula C87H98N34O10S7 and a molecular weight of 2004.44 g/mol. Its IUPAC name is 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
• PubChem CID: 159909710
• Molecular Formula: C87H98N34O10S7
• Molecular Weight: 2004.44 g/mol
• Exact Mass: 2002.63
• IUPAC Name: 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
• SMILES: Cc1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(C2CCC(CCN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(C2CCn3cncc3C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Nc1nc2c(-c3ccc(CC4CCC4)c(S(N)(=O)=O)c3C3=NCN=N3)cccc2s1.Nc1nc2c(-c3ccc(CC4CCNCC4)c(S(N)(=O)=O)c3C3=NCN=N3)cccc2s1
• InChI: InChI=1S/C21H23N7O2S2.C20H20N6O2S2.C16H24N6O2S.C15H14N8O2S.C15H17N7O2S/c22-21-27-18-15(2-1-3-16(18)31-21)14-5-4-13(10-12-6-8-24-9-7-12)19(32(23,29)30)17(14)20-25-11-26-28-20;21-20-25-17-14(5-2-6-15(17)29-20)13-8-7-12(9-11-3-1-4-11)18(30(22,27)28)16(13)19-23-10-24-26-19;1-10-2-7-13(12-5-3-11(4-6-12)8-9-17)14(15(10)25(18,23)24)16-19-21-22-20-16;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;1-9-2-3-12(10-4-5-22-8-17-7-11(22)6-10)13(14(9)25(16,23)24)15-18-20-21-19-15/h1-5,12,24H,6-11H2,(H2,22,27)(H2,23,29,30);2,5-8,11H,1,3-4,9-10H2,(H2,21,25)(H2,22,27,28);2,7,11-12H,3-6,8-9,17H2,1H3,(H2,18,23,24)(H,19,20,21,22);2-6H,1H3,(H3,16,18,19)(H2,17,24,25)(H,20,21,22,23);2-3,7-8,10H,4-6H2,1H3,(H2,16,23,24)(H,18,19,20,21)
• InChIKey: NXAKCXSHPSAGSE-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 726.73 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 21
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2004.44
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

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-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?

The IUPAC name of 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 159909710) is 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

What is the SMILES notation for 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?

The canonical SMILES for 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(C2CCC(CCN)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(C2CCn3cncc3C2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Nc1nc2c(-c3ccc(CC4CCC4)c(S(N)(=O)=O)c3C3=NCN=N3)cccc2s1.Nc1nc2c(-c3ccc(CC4CCNCC4)c(S(N)(=O)=O)c3C3=NCN=N3)cccc2s1.

What is the InChIKey of 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?

The InChIKey is NXAKCXSHPSAGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S2.C20H20N6O2S2.C16H24N6O2S.C15H14N8O2S.C15H17N7O2S/c22-21-27-18-15(2-1-3-16(18)31-21)14-5-4-13(10-12-6-8-24-9-7-12)19(32(23,29)30)17(14)20-25-11-26-28-20;21-20-25-17-14(5-2-6-15(17)29-20)13-8-7-12(9-11-3-1-4-11)18(30(22,27)28)16(13)19-23-10-24-26-19;1-10-2-7-13(12-5-3-11(4-6-12)8-9-17)14(15(10)25(18,23)24)16-19-21-22-20-16;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;1-9-2-3-12(10-4-5-22-8-17-7-11(22)6-10)13(14(9)25(16,23)24)15-18-20-21-19-15/h1-5,12,24H,6-11H2,(H2,22,27)(H2,23,29,30);2,5-8,11H,1,3-4,9-10H2,(H2,21,25)(H2,22,27,28);2,7,11-12H,3-6,8-9,17H2,1H3,(H2,18,23,24)(H,19,20,21,22);2-6H,1H3,(H3,16,18,19)(H2,17,24,25)(H,20,21,22,23);2-3,7-8,10H,4-6H2,1H3,(H2,16,23,24)(H,18,19,20,21).

What are the key properties of 3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?

3-(2-amino-1H-benzimidazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 2004.44 g/mol, XLogP of 9.75, 21 rotatable bonds, 14 hydrogen bond donors, and 37 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-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-[4-(2-aminoethyl)cyclohexyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-methyl-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 159909710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).