3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C109H130F12N34O10S5 — CID 161253435

About 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 161253435) has the molecular formula C109H130F12N34O10S5 and a molecular weight of 2464.78 g/mol. Its IUPAC name is 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 161253435
• Molecular Formula: C109H130F12N34O10S5
• Molecular Weight: 2464.78 g/mol
• Exact Mass: 2462.91
• IUPAC Name: 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
• SMILES: Cc1ccc(N(C)C)c(-c2nn[nH]n2)c1S(N)(=O)=O.NC1CCC(N2CCC(c3ccc(-c4ccc(C(F)(F)F)c(S(N)(=O)=O)c4-c4nn[nH]n4)cc3)CC2)C1.NCC1CCC(N2CCC(c3ccc(-c4ccc(C(F)(F)F)c(S(N)(=O)=O)c4-c4nn[nH]n4)cc3)CC2)CC1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CC5CCC4N5)CC3)cc2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCNCC4)CC3)cc2)c1-c1nn[nH]n1
• InChI: InChI=1S/C26H32F3N7O2S.C25H28F3N7O2S.2C24H28F3N7O2S.C10H14N6O2S/c27-26(28,29)22-10-9-21(23(24(22)39(31,37)38)25-32-34-35-33-25)19-5-3-17(4-6-19)18-11-13-36(14-12-18)20-7-1-16(15-30)2-8-20;26-25(27,28)19-7-6-18(22(23(19)38(29,36)37)24-31-33-34-32-24)16-3-1-14(2-4-16)15-9-11-35(12-10-15)21-13-17-5-8-20(21)30-17;25-24(26,27)20-6-5-19(21(22(20)37(28,35)36)23-30-32-33-31-23)17-3-1-15(2-4-17)16-9-13-34(14-10-16)18-7-11-29-12-8-18;25-24(26,27)20-8-7-19(21(22(20)37(29,35)36)23-30-32-33-31-23)16-3-1-14(2-4-16)15-9-11-34(12-10-15)18-6-5-17(28)13-18;1-6-4-5-7(16(2)3)8(9(6)19(11,17)18)10-12-14-15-13-10/h3-6,9-10,16,18,20H,1-2,7-8,11-15,30H2,(H2,31,37,38)(H,32,33,34,35);1-4,6-7,15,17,20-21,30H,5,8-13H2,(H2,29,36,37)(H,31,32,33,34);1-6,16,18,29H,7-14H2,(H2,28,35,36)(H,30,31,32,33);1-4,7-8,15,17-18H,5-6,9-13,28H2,(H2,29,35,36)(H,30,31,32,33);4-5H,1-3H3,(H2,11,17,18)(H,12,13,14,15)
• InChIKey: VBORNGPCVALMJC-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 665.40 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2464.78
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 161253435) is 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Cc1ccc(N(C)C)c(-c2nn[nH]n2)c1S(N)(=O)=O.NC1CCC(N2CCC(c3ccc(-c4ccc(C(F)(F)F)c(S(N)(=O)=O)c4-c4nn[nH]n4)cc3)CC2)C1.NCC1CCC(N2CCC(c3ccc(-c4ccc(C(F)(F)F)c(S(N)(=O)=O)c4-c4nn[nH]n4)cc3)CC2)CC1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CC5CCC4N5)CC3)cc2)c1-c1nn[nH]n1.NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCNCC4)CC3)cc2)c1-c1nn[nH]n1.

What is the InChIKey of 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?

The InChIKey is VBORNGPCVALMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N7O2S.C25H28F3N7O2S.2C24H28F3N7O2S.C10H14N6O2S/c27-26(28,29)22-10-9-21(23(24(22)39(31,37)38)25-32-34-35-33-25)19-5-3-17(4-6-19)18-11-13-36(14-12-18)20-7-1-16(15-30)2-8-20;26-25(27,28)19-7-6-18(22(23(19)38(29,36)37)24-31-33-34-32-24)16-3-1-14(2-4-16)15-9-11-35(12-10-15)21-13-17-5-8-20(21)30-17;25-24(26,27)20-6-5-19(21(22(20)37(28,35)36)23-30-32-33-31-23)17-3-1-15(2-4-17)16-9-13-34(14-10-16)18-7-11-29-12-8-18;25-24(26,27)20-8-7-19(21(22(20)37(29,35)36)23-30-32-33-31-23)16-3-1-14(2-4-16)15-9-11-34(12-10-15)18-6-5-17(28)13-18;1-6-4-5-7(16(2)3)8(9(6)19(11,17)18)10-12-14-15-13-10/h3-6,9-10,16,18,20H,1-2,7-8,11-15,30H2,(H2,31,37,38)(H,32,33,34,35);1-4,6-7,15,17,20-21,30H,5,8-13H2,(H2,29,36,37)(H,31,32,33,34);1-6,16,18,29H,7-14H2,(H2,28,35,36)(H,30,31,32,33);1-4,7-8,15,17-18H,5-6,9-13,28H2,(H2,29,35,36)(H,30,31,32,33);4-5H,1-3H3,(H2,11,17,18)(H,12,13,14,15).

What are the key properties of 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?

3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 2464.78 g/mol, XLogP of 13.45, 24 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-(3-aminocyclopentyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-[4-(aminomethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-[1-(7-azabicyclo[2.2.1]heptan-2-yl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(dimethylamino)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(1-piperidin-4-ylpiperidin-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 161253435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).