6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine

C₁₂₂H₁₂₇F₇N₃₆O₁₂S₇ — CID 159817365

About 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine

6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 159817365) has the molecular formula C₁₂₂H₁₂₇F₇N₃₆O₁₂S₇ and a molecular weight of 2647.05 g/mol. Its IUPAC name is 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
• PubChem CID: 159817365
• Molecular Formula: C₁₂₂H₁₂₇F₇N₃₆O₁₂S₇
• Molecular Weight: 2647.05 g/mol
• Exact Mass: 2644.84
• IUPAC Name: 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
• SMILES: CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(CC2(F)CCNCC2)ccc(-c2ccc(C3CCNCC3)cc2)c1C1=NCN=N1.NS(=O)(=O)c1c(CC2CCC2)ccc(-c2ccc(C3CCNCC3)cc2)c1C1=NCN=N1.NS(=O)(=O)c1c(CC2CCCC2)ccc(-c2ccc(C3CCNCC3)cc2)c1C1=NCN=N1.[H]/N=C(\N)c1nc2c(-c3ccc(C)c(S(N)(=O)=O)c3-c3nn[nH]n3)cccc2s1
• InChI: InChI=1S/C25H31FN6O2S.C25H31N5O2S.C24H29N5O2S.2C16H11F3N6O2S.C16H14N8O2S2/c26-25(9-13-29-14-10-25)15-20-5-6-21(22(23(20)35(27,33)34)24-30-16-31-32-24)19-3-1-17(2-4-19)18-7-11-28-12-8-18;26-33(31,32)24-21(15-17-3-1-2-4-17)9-10-22(23(24)25-28-16-29-30-25)20-7-5-18(6-8-20)19-11-13-27-14-12-19;25-32(30,31)23-20(14-16-2-1-3-16)8-9-21(22(23)24-27-15-28-29-24)19-6-4-17(5-7-19)18-10-12-26-13-11-18;1-28(26,27)14-11(16(17,18)19)4-3-10(13(14)15-21-23-24-22-15)9-2-5-12-20-6-7-25(12)8-9;1-28(26,27)14-10(16(17,18)19)3-2-9(13(14)15-22-24-25-23-15)8-6-12-11(21-7-8)4-5-20-12;1-7-5-6-8(11(13(7)28(19,25)26)15-21-23-24-22-15)9-3-2-4-10-12(9)20-16(27-10)14(17)18/h1-6,18,28-29H,7-16H2,(H2,27,33,34);5-10,17,19,27H,1-4,11-16H2,(H2,26,31,32);4-9,16,18,26H,1-3,10-15H2,(H2,25,30,31);2-8H,1H3,(H,21,22,23,24);2-7,20H,1H3,(H,22,23,24,25);2-6H,1H3,(H3,17,18)(H2,19,25,26)(H,21,22,23,24)
• InChIKey: NLUALRPTCOGOEG-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 740.40 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2647.05
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

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 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?

The IUPAC name of 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine (CID 159817365) is 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine.

What is the SMILES notation for 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?

The canonical SMILES for 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine is CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc3nccn3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cnc3cc[nH]c3c2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(CC2(F)CCNCC2)ccc(-c2ccc(C3CCNCC3)cc2)c1C1=NCN=N1.NS(=O)(=O)c1c(CC2CCC2)ccc(-c2ccc(C3CCNCC3)cc2)c1C1=NCN=N1.NS(=O)(=O)c1c(CC2CCCC2)ccc(-c2ccc(C3CCNCC3)cc2)c1C1=NCN=N1.[H]/N=C(\N)c1nc2c(-c3ccc(C)c(S(N)(=O)=O)c3-c3nn[nH]n3)cccc2s1.

What is the InChIKey of 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?

The InChIKey is NLUALRPTCOGOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O2S.C25H31N5O2S.C24H29N5O2S.2C16H11F3N6O2S.C16H14N8O2S2/c26-25(9-13-29-14-10-25)15-20-5-6-21(22(23(20)35(27,33)34)24-30-16-31-32-24)19-3-1-17(2-4-19)18-7-11-28-12-8-18;26-33(31,32)24-21(15-17-3-1-2-4-17)9-10-22(23(24)25-28-16-29-30-25)20-7-5-18(6-8-20)19-11-13-27-14-12-19;25-32(30,31)23-20(14-16-2-1-3-16)8-9-21(22(23)24-27-15-28-29-24)19-6-4-17(5-7-19)18-10-12-26-13-11-18;1-28(26,27)14-11(16(17,18)19)4-3-10(13(14)15-21-23-24-22-15)9-2-5-12-20-6-7-25(12)8-9;1-28(26,27)14-10(16(17,18)19)3-2-9(13(14)15-22-24-25-23-15)8-6-12-11(21-7-8)4-5-20-12;1-7-5-6-8(11(13(7)28(19,25)26)15-21-23-24-22-15)9-3-2-4-10-12(9)20-16(27-10)14(17)18/h1-6,18,28-29H,7-16H2,(H2,27,33,34);5-10,17,19,27H,1-4,11-16H2,(H2,26,31,32);4-9,16,18,26H,1-3,10-15H2,(H2,25,30,31);2-8H,1H3,(H,21,22,23,24);2-7,20H,1H3,(H,22,23,24,25);2-6H,1H3,(H3,17,18)(H2,19,25,26)(H,21,22,23,24).

What are the key properties of 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?

6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 2647.05 g/mol, XLogP of 18.44, 28 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclobutylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-(cyclopentylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;6-[(4-fluoropiperidin-4-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole-2-carboximidamide;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 159817365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159817365 — identifiers, structure, computed properties (public domain)

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