2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide

C25H19BrCl2N2O3S — CID 126201756

About 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide

2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide (PubChem CID 126201756) has the molecular formula C25H19BrCl2N2O3S and a molecular weight of 578.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide
• PubChem CID: 126201756
• Molecular Formula: C25H19BrCl2N2O3S
• Molecular Weight: 578.32 g/mol
• Exact Mass: 575.97
• IUPAC Name: 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide
• SMILES: O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc2ccccc12
• InChI: InChI=1S/C25H19BrCl2N2O3S/c26-19-9-11-20(12-10-19)34(32,33)30(15-17-8-13-22(27)23(28)14-17)16-25(31)29-24-7-3-5-18-4-1-2-6-21(18)24/h1-14H,15-16H2,(H,29,31)
• InChIKey: QNEBLPJTEJBBAG-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.32
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide?

The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide (CID 126201756) is 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide.

What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide?

The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide is O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc2ccccc12.

What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide?

The InChIKey is QNEBLPJTEJBBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrCl2N2O3S/c26-19-9-11-20(12-10-19)34(32,33)30(15-17-8-13-22(27)23(28)14-17)16-25(31)29-24-7-3-5-18-4-1-2-6-21(18)24/h1-14H,15-16H2,(H,29,31).

What are the key properties of 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide?

2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide has a molecular weight of 578.32 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 126201756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).