sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate

C20H21ClNNaO4S — CID 23674098

About sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate

sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate (PubChem CID 23674098) has the molecular formula C20H21ClNNaO4S and a molecular weight of 429.90 g/mol. Its IUPAC name is sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate.

Molecular Properties

• Compound Name: sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate
• PubChem CID: 23674098
• Molecular Formula: C20H21ClNNaO4S
• Molecular Weight: 429.90 g/mol
• Exact Mass: 429.08
• IUPAC Name: sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate
• SMILES: Cc1ccc2c(c1CCC(=O)[O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2.[Na+]
• InChI: InChI=1S/C20H22ClNO4S.Na/c1-13-2-3-14-12-16(6-9-19(14)18(13)10-11-20(23)24)22-27(25,26)17-7-4-15(21)5-8-17;/h2-5,7-8,16,22H,6,9-12H2,1H3,(H,23,24);/q;+1/p-1/t16-;/m1./s1
• InChIKey: BQMSKINGUUUIHE-PKLMIRHRSA-M
• XLogP: -0.83
• TPSA: 86.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.90
LogP ≤ 5	-0.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate?

The IUPAC name of sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate (CID 23674098) is sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate.

What is the SMILES notation for sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate?

The canonical SMILES for sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate is Cc1ccc2c(c1CCC(=O)[O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2.[Na+].

What is the InChIKey of sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate?

The InChIKey is BQMSKINGUUUIHE-PKLMIRHRSA-M. The full InChI is InChI=1S/C20H22ClNO4S.Na/c1-13-2-3-14-12-16(6-9-19(14)18(13)10-11-20(23)24)22-27(25,26)17-7-4-15(21)5-8-17;/h2-5,7-8,16,22H,6,9-12H2,1H3,(H,23,24);/q;+1/p-1/t16-;/m1./s1.

What are the key properties of sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate?

sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate has a molecular weight of 429.90 g/mol, XLogP of -0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate is sourced from PubChem (CID 23674098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).