4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide

C96H90Cl2N14O12S5 — CID 159460279

About 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide

4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide (PubChem CID 159460279) has the molecular formula C96H90Cl2N14O12S5 and a molecular weight of 1863.10 g/mol. Its IUPAC name is 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide
• PubChem CID: 159460279
• Molecular Formula: C96H90Cl2N14O12S5
• Molecular Weight: 1863.10 g/mol
• Exact Mass: 1860.48
• IUPAC Name: 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide
• SMILES: CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2nccs2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2ccccc2Cl)c1.CN(Cc1ccc(-c2ncccn2)cc1)S(=O)(=O)c1cccnc1
• InChI: InChI=1S/C28H26ClN3O3S.C26H24ClN3O4S.C25H24N4O3S2.C17H16N4O2S/c1-21(33)6-7-22-4-2-5-24(18-22)20-32(36(34,35)27-14-12-26(29)13-15-27)19-23-8-10-25(11-9-23)28-30-16-3-17-31-28;1-20(31)19-34-24-7-4-6-22(16-24)18-29(35(32,33)26-9-3-2-8-25(26)27)17-21-10-12-23(13-11-21)30-15-5-14-28-30;1-19(30)6-7-20-4-2-5-22(16-20)18-29(34(31,32)25-28-14-15-33-25)17-21-8-10-23(11-9-21)24-26-12-3-13-27-24;1-21(24(22,23)16-4-2-9-18-12-16)13-14-5-7-15(8-6-14)17-19-10-3-11-20-17/h2-5,8-18H,6-7,19-20H2,1H3;2-16H,17-19H2,1H3;2-5,8-16H,6-7,17-18H2,1H3;2-12H,13H2,1H3
• InChIKey: LUMUWUSHNSPZFY-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 330.90 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 35
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1863.10
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide?

The IUPAC name of 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide (CID 159460279) is 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide.

What is the SMILES notation for 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide?

The canonical SMILES for 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide is CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2nccs2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2ccccc2Cl)c1.CN(Cc1ccc(-c2ncccn2)cc1)S(=O)(=O)c1cccnc1.

What is the InChIKey of 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide?

The InChIKey is LUMUWUSHNSPZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O3S.C26H24ClN3O4S.C25H24N4O3S2.C17H16N4O2S/c1-21(33)6-7-22-4-2-5-24(18-22)20-32(36(34,35)27-14-12-26(29)13-15-27)19-23-8-10-25(11-9-23)28-30-16-3-17-31-28;1-20(31)19-34-24-7-4-6-22(16-24)18-29(35(32,33)26-9-3-2-8-25(26)27)17-21-10-12-23(13-11-21)30-15-5-14-28-30;1-19(30)6-7-20-4-2-5-22(16-20)18-29(34(31,32)25-28-14-15-33-25)17-21-8-10-23(11-9-21)24-26-12-3-13-27-24;1-21(24(22,23)16-4-2-9-18-12-16)13-14-5-7-15(8-6-14)17-19-10-3-11-20-17/h2-5,8-18H,6-7,19-20H2,1H3;2-16H,17-19H2,1H3;2-5,8-16H,6-7,17-18H2,1H3;2-12H,13H2,1H3.

What are the key properties of 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide?

4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide has a molecular weight of 1863.10 g/mol, XLogP of 17.47, 35 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-methyl-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 159460279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).