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

C108H103ClN12O14S4 — CID 90879394

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

4-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-3-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-sulfonamide (PubChem CID 90879394) has the molecular formula C108H103ClN12O14S4 and a molecular weight of 1956.80 g/mol. Its IUPAC name is 4-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-3-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-3-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-sulfonamide
• PubChem CID: 90879394
• Molecular Formula: C108H103ClN12O14S4
• Molecular Weight: 1956.80 g/mol
• Exact Mass: 1954.63
• IUPAC Name: 4-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-3-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-sulfonamide
• SMILES: CC(=O)CCc1cccc(CN(Cc2ccc(-c3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2ccccn2)c1
• InChI: InChI=1S/C29H28N2O3S.C28H27N3O3S.C26H24ClN3O4S.C25H24N4O4S/c1-23(32)12-13-24-7-5-8-26(19-24)22-31(35(33,34)29-10-3-2-4-11-29)21-25-14-16-27(17-15-25)28-9-6-18-30-20-28;1-22(32)11-12-23-7-5-8-25(19-23)21-31(35(33,34)27-9-3-2-4-10-27)20-24-13-15-26(16-14-24)28-29-17-6-18-30-28;1-20(31)19-34-25-5-2-4-22(16-25)18-29(35(32,33)26-12-8-23(27)9-13-26)17-21-6-10-24(11-7-21)30-15-3-14-28-30;1-20(30)19-33-24-7-4-6-22(16-24)18-28(34(31,32)25-8-2-3-13-26-25)17-21-9-11-23(12-10-21)29-15-5-14-27-29/h2-11,14-20H,12-13,21-22H2,1H3;2-10,13-19H,11-12,20-21H2,1H3;2-16H,17-19H2,1H3;2-16H,17-19H2,1H3
• InChIKey: QLFCXXQLQITVPC-UHFFFAOYSA-N
• XLogP: 19.23
• TPSA: 323.46 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 40
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1956.80
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-3-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-sulfonamide (CID 90879394) is 4-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-3-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-sulfonamide.

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

The canonical SMILES for 4-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-3-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-sulfonamide is CC(=O)CCc1cccc(CN(Cc2ccc(-c3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2ccccn2)c1.

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

The InChIKey is QLFCXXQLQITVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S.C28H27N3O3S.C26H24ClN3O4S.C25H24N4O4S/c1-23(32)12-13-24-7-5-8-26(19-24)22-31(35(33,34)29-10-3-2-4-11-29)21-25-14-16-27(17-15-25)28-9-6-18-30-20-28;1-22(32)11-12-23-7-5-8-25(19-23)21-31(35(33,34)27-9-3-2-4-10-27)20-24-13-15-26(16-14-24)28-29-17-6-18-30-28;1-20(31)19-34-25-5-2-4-22(16-25)18-29(35(32,33)26-12-8-23(27)9-13-26)17-21-6-10-24(11-7-21)30-15-3-14-28-30;1-20(30)19-33-24-7-4-6-22(16-24)18-28(34(31,32)25-8-2-3-13-26-25)17-21-9-11-23(12-10-21)29-15-5-14-27-29/h2-11,14-20H,12-13,21-22H2,1H3;2-10,13-19H,11-12,20-21H2,1H3;2-16H,17-19H2,1H3;2-16H,17-19H2,1H3.

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

4-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-3-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-sulfonamide has a molecular weight of 1956.80 g/mol, XLogP of 19.23, 40 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyridin-3-ylphenyl)methyl]benzenesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]benzenesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 90879394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).