N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C92H101Cl4FN20O13S7 — CID 157082645

About N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 157082645) has the molecular formula C92H101Cl4FN20O13S7 and a molecular weight of 2080.23 g/mol. Its IUPAC name is N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 157082645
• Molecular Formula: C92H101Cl4FN20O13S7
• Molecular Weight: 2080.23 g/mol
• Exact Mass: 2076.46
• IUPAC Name: N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nc(Cl)ncc3C#N)cc2)CC1)N1CCCc2cc(Cl)ccc21.O=C(COc1ccc(F)c(Cl)c1)N1CCN(c2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1.O=C(Cn1ccc2ccc(Cl)cc21)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C1Nc2ccccc2C12CCN(c1ccc(S(=O)(=O)Nc3nccs3)cc1)CC2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H27Cl2N7O3S.C24H23ClN4O3S2.C21H20N4O3S2.C20H19ClFN5O4S2.6H2/c1-18(36-10-2-3-19-15-21(28)4-9-24(19)36)26(37)35-13-11-34(12-14-35)22-5-7-23(8-6-22)40(38,39)33-25-20(16-30)17-31-27(29)32-25;25-20-4-1-19-9-13-29(22(19)15-20)16-23(30)28-11-7-18(8-12-28)17-2-5-21(6-3-17)34(31,32)27-24-26-10-14-33-24;26-19-21(17-3-1-2-4-18(17)23-19)9-12-25(13-10-21)15-5-7-16(8-6-15)30(27,28)24-20-22-11-14-29-20;21-17-11-15(3-6-18(17)22)31-12-19(28)27-9-7-26(8-10-27)14-1-4-16(5-2-14)33(29,30)25-20-24-23-13-32-20;;;;;;/h4-9,15,17-18H,2-3,10-14H2,1H3,(H,31,32,33);1-6,9-10,13-15,18H,7-8,11-12,16H2,(H,26,27);1-8,11,14H,9-10,12-13H2,(H,22,24)(H,23,26);1-6,11,13H,7-10,12H2,(H,24,25);6*1H/t18-;;;;;;;;;/m1........./s1
• InChIKey: ADSOVZIWKRHQLU-RJYOUJLLSA-N
• XLogP: 16.67
• TPSA: 402.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.23
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 157082645) is N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nc(Cl)ncc3C#N)cc2)CC1)N1CCCc2cc(Cl)ccc21.O=C(COc1ccc(F)c(Cl)c1)N1CCN(c2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1.O=C(Cn1ccc2ccc(Cl)cc21)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C1Nc2ccccc2C12CCN(c1ccc(S(=O)(=O)Nc3nccs3)cc1)CC2.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is ADSOVZIWKRHQLU-RJYOUJLLSA-N. The full InChI is InChI=1S/C27H27Cl2N7O3S.C24H23ClN4O3S2.C21H20N4O3S2.C20H19ClFN5O4S2.6H2/c1-18(36-10-2-3-19-15-21(28)4-9-24(19)36)26(37)35-13-11-34(12-14-35)22-5-7-23(8-6-22)40(38,39)33-25-20(16-30)17-31-27(29)32-25;25-20-4-1-19-9-13-29(22(19)15-20)16-23(30)28-11-7-18(8-12-28)17-2-5-21(6-3-17)34(31,32)27-24-26-10-14-33-24;26-19-21(17-3-1-2-4-18(17)23-19)9-12-25(13-10-21)15-5-7-16(8-6-15)30(27,28)24-20-22-11-14-29-20;21-17-11-15(3-6-18(17)22)31-12-19(28)27-9-7-26(8-10-27)14-1-4-16(5-2-14)33(29,30)25-20-24-23-13-32-20;;;;;;/h4-9,15,17-18H,2-3,10-14H2,1H3,(H,31,32,33);1-6,9-10,13-15,18H,7-8,11-12,16H2,(H,26,27);1-8,11,14H,9-10,12-13H2,(H,22,24)(H,23,26);1-6,11,13H,7-10,12H2,(H,24,25);6*1H/t18-;;;;;;;;;/m1........./s1.

What are the key properties of N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?

N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 2080.23 g/mol, XLogP of 16.67, 23 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-5-cyanopyrimidin-4-yl)-4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;4-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 157082645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).