2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide

C28H25Cl3N2O4S — CID 118055859

About 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide

2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 118055859) has the molecular formula C28H25Cl3N2O4S and a molecular weight of 591.94 g/mol. Its IUPAC name is 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
• PubChem CID: 118055859
• Molecular Formula: C28H25Cl3N2O4S
• Molecular Weight: 591.94 g/mol
• Exact Mass: 590.06
• IUPAC Name: 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
• SMILES: O=C(Nc1ccc2c(c1)C(S(=O)(=O)c1cccc(Cl)c1)C[C@H](CN1CCCC1=O)C2)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C28H25Cl3N2O4S/c29-19-4-1-5-21(14-19)38(36,37)25-13-17(16-33-11-3-8-26(33)34)12-18-9-10-20(15-22(18)25)32-28(35)27-23(30)6-2-7-24(27)31/h1-2,4-7,9-10,14-15,17,25H,3,8,11-13,16H2,(H,32,35)/t17-,25?/m1/s1
• InChIKey: FCXSDWSNLJUFMI-SMFUYQKNSA-N
• XLogP: 6.60
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.94
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?

The IUPAC name of 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide (CID 118055859) is 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide.

What is the SMILES notation for 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?

The canonical SMILES for 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide is O=C(Nc1ccc2c(c1)C(S(=O)(=O)c1cccc(Cl)c1)C[C@H](CN1CCCC1=O)C2)c1c(Cl)cccc1Cl.

What is the InChIKey of 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?

The InChIKey is FCXSDWSNLJUFMI-SMFUYQKNSA-N. The full InChI is InChI=1S/C28H25Cl3N2O4S/c29-19-4-1-5-21(14-19)38(36,37)25-13-17(16-33-11-3-8-26(33)34)12-18-9-10-20(15-22(18)25)32-28(35)27-23(30)6-2-7-24(27)31/h1-2,4-7,9-10,14-15,17,25H,3,8,11-13,16H2,(H,32,35)/t17-,25?/m1/s1.

What are the key properties of 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide?

2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 591.94 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[(6R)-8-(3-chlorophenyl)sulfonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 118055859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).