4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen

C70H79BrCl3N15O10S5 — CID 157300215

About 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen

4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 157300215) has the molecular formula C70H79BrCl3N15O10S5 and a molecular weight of 1637.09 g/mol. Its IUPAC name is 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen
• PubChem CID: 157300215
• Molecular Formula: C70H79BrCl3N15O10S5
• Molecular Weight: 1637.09 g/mol
• Exact Mass: 1633.30
• IUPAC Name: 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen
• SMILES: C[C@@H](C(=O)N1CCC(O)(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)N1CCCc2cc(Cl)ccc21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CCN1C(=O)Cn1ccc2ccc(Cl)cc21.O=C(c1ccc(Br)cc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H29ClN4O4S2.C23H23ClN6O3S2.C21H19BrClN5O3S.4H2/c1-18(31-13-2-3-19-17-21(27)6-9-23(19)31)24(32)30-14-10-26(33,11-15-30)20-4-7-22(8-5-20)37(34,35)29-25-28-12-16-36-25;1-16-13-28(19-4-6-20(7-5-19)35(32,33)27-23-25-15-26-34-23)10-11-30(16)22(31)14-29-9-8-17-2-3-18(24)12-21(17)29;22-15-1-6-18(19(23)13-15)21(29)28-11-9-27(10-12-28)16-2-4-17(5-3-16)32(30,31)26-20-7-8-24-14-25-20;;;;/h4-9,12,16-18,33H,2-3,10-11,13-15H2,1H3,(H,28,29);2-9,12,15-16H,10-11,13-14H2,1H3,(H,25,26,27);1-8,13-14H,9-12H2,(H,24,25,26);4*1H/t18-;16-;;;;;/m00...../s1
• InChIKey: BBUSPJUUYWISCH-AFIZLCTASA-N
• XLogP: 12.57
• TPSA: 298.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.09
LogP ≤ 5	12.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The IUPAC name of 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen (CID 157300215) is 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen is C[C@@H](C(=O)N1CCC(O)(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)N1CCCc2cc(Cl)ccc21.C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CCN1C(=O)Cn1ccc2ccc(Cl)cc21.O=C(c1ccc(Br)cc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

The InChIKey is BBUSPJUUYWISCH-AFIZLCTASA-N. The full InChI is InChI=1S/C26H29ClN4O4S2.C23H23ClN6O3S2.C21H19BrClN5O3S.4H2/c1-18(31-13-2-3-19-17-21(27)6-9-23(19)31)24(32)30-14-10-26(33,11-15-30)20-4-7-22(8-5-20)37(34,35)29-25-28-12-16-36-25;1-16-13-28(19-4-6-20(7-5-19)35(32,33)27-23-25-15-26-34-23)10-11-30(16)22(31)14-29-9-8-17-2-3-18(24)12-21(17)29;22-15-1-6-18(19(23)13-15)21(29)28-11-9-27(10-12-28)16-2-4-17(5-3-16)32(30,31)26-20-7-8-24-14-25-20;;;;/h4-9,12,16-18,33H,2-3,10-11,13-15H2,1H3,(H,28,29);2-9,12,15-16H,10-11,13-14H2,1H3,(H,25,26,27);1-8,13-14H,9-12H2,(H,24,25,26);4*1H/t18-;16-;;;;;/m00...../s1.

What are the key properties of 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen?

4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 1637.09 g/mol, XLogP of 12.57, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-bromo-2-chlorobenzoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]-4-hydroxypiperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(6-chloroindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157300215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).