N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide

C43H51Cl2N5O7S2 — CID 91197520

About N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide

N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 91197520) has the molecular formula C43H51Cl2N5O7S2 and a molecular weight of 884.95 g/mol. Its IUPAC name is N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide
• PubChem CID: 91197520
• Molecular Formula: C43H51Cl2N5O7S2
• Molecular Weight: 884.95 g/mol
• Exact Mass: 883.26
• IUPAC Name: N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide
• SMILES: CC(=O)CCCCCCN(CCCc1cc(Cl)cc(Cl)c1)S(C)(=O)=O.CC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
• InChI: InChI=1S/C25H24N4O4S.C18H27Cl2NO3S/c1-20(30)19-33-24-6-2-5-22(15-24)18-28(34(31,32)25-7-3-12-26-16-25)17-21-8-10-23(11-9-21)29-14-4-13-27-29;1-15(22)8-5-3-4-6-10-21(25(2,23)24)11-7-9-16-12-17(19)14-18(20)13-16/h2-16H,17-19H2,1H3;12-14H,3-11H2,1-2H3
• InChIKey: VTSALCPUSOUZCR-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 148.84 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.95
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide?

The IUPAC name of N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide (CID 91197520) is N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide.

What is the SMILES notation for N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide?

The canonical SMILES for N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide is CC(=O)CCCCCCN(CCCc1cc(Cl)cc(Cl)c1)S(C)(=O)=O.CC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1.

What is the InChIKey of N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide?

The InChIKey is VTSALCPUSOUZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S.C18H27Cl2NO3S/c1-20(30)19-33-24-6-2-5-22(15-24)18-28(34(31,32)25-7-3-12-26-16-25)17-21-8-10-23(11-9-21)29-14-4-13-27-29;1-15(22)8-5-3-4-6-10-21(25(2,23)24)11-7-9-16-12-17(19)14-18(20)13-16/h2-16H,17-19H2,1H3;12-14H,3-11H2,1-2H3.

What are the key properties of N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide?

N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 884.95 g/mol, XLogP of 8.35, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,5-dichlorophenyl)propyl]-N-(7-oxooctyl)methanesulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 91197520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).