4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide

C72H75ClF5N15O12S5 — CID 157185773

About 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide

4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 157185773) has the molecular formula C72H75ClF5N15O12S5 and a molecular weight of 1633.26 g/mol. Its IUPAC name is 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide
• PubChem CID: 157185773
• Molecular Formula: C72H75ClF5N15O12S5
• Molecular Weight: 1633.26 g/mol
• Exact Mass: 1631.39
• IUPAC Name: 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide
• SMILES: CC(Oc1ccc(F)c(Cl)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3ncns3)cc2)C(=O)C1)n1ccc2c(F)cccc21.O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCC(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H22F3N5O4S2.C24H22FN5O4S2.C23H23ClFN5O4S.4H2/c26-25(27,28)20-3-1-2-19-21(8-11-29-23(19)20)37-14-22(34)33-12-9-17(10-13-33)16-4-6-18(7-5-16)39(35,36)32-24-30-15-31-38-24;1-15(30-12-10-19-20(25)3-2-4-21(19)30)23(32)29-11-9-18(22(31)13-29)16-5-7-17(8-6-16)36(33,34)28-24-26-14-27-35-24;1-16(34-18-4-7-21(25)20(24)14-18)23(31)30-12-10-29(11-13-30)17-2-5-19(6-3-17)35(32,33)28-22-8-9-26-15-27-22;;;;/h1-8,11,15,17H,9-10,12-14H2,(H,30,31,32);2-8,10,12,14-15,18H,9,11,13H2,1H3,(H,26,27,28);2-9,14-16H,10-13H2,1H3,(H,26,27,28);4*1H/t;15-,18?;;;;;/m.1...../s1
• InChIKey: APCGUMIFNZLLOR-NHRJAVTQSA-N
• XLogP: 12.44
• TPSA: 333.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1633.26
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide?

The IUPAC name of 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide (CID 157185773) is 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide.

What is the SMILES notation for 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide?

The canonical SMILES for 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide is CC(Oc1ccc(F)c(Cl)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.C[C@H](C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3ncns3)cc2)C(=O)C1)n1ccc2c(F)cccc21.O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCC(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide?

The InChIKey is APCGUMIFNZLLOR-NHRJAVTQSA-N. The full InChI is InChI=1S/C25H22F3N5O4S2.C24H22FN5O4S2.C23H23ClFN5O4S.4H2/c26-25(27,28)20-3-1-2-19-21(8-11-29-23(19)20)37-14-22(34)33-12-9-17(10-13-33)16-4-6-18(7-5-16)39(35,36)32-24-30-15-31-38-24;1-15(30-12-10-19-20(25)3-2-4-21(19)30)23(32)29-11-9-18(22(31)13-29)16-5-7-17(8-6-16)36(33,34)28-24-26-14-27-35-24;1-16(34-18-4-7-21(25)20(24)14-18)23(31)30-12-10-29(11-13-30)17-2-5-19(6-3-17)35(32,33)28-22-8-9-26-15-27-22;;;;/h1-8,11,15,17H,9-10,12-14H2,(H,30,31,32);2-8,10,12,14-15,18H,9,11,13H2,1H3,(H,26,27,28);2-9,14-16H,10-13H2,1H3,(H,26,27,28);4*1H/t;15-,18?;;;;;/m.1...../s1.

What are the key properties of 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide?

4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 1633.26 g/mol, XLogP of 12.44, 20 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(3-chloro-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-oxopiperidin-4-yl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide;molecular hydrogen;N-(1,2,4-thiadiazol-5-yl)-4-[1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 157185773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).