N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide

C23H19Cl3N2O3S — CID 118055885

About N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide

N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide (PubChem CID 118055885) has the molecular formula C23H19Cl3N2O3S and a molecular weight of 509.84 g/mol. Its IUPAC name is N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide.

Molecular Properties

• Compound Name: N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide
• PubChem CID: 118055885
• Molecular Formula: C23H19Cl3N2O3S
• Molecular Weight: 509.84 g/mol
• Exact Mass: 508.02
• IUPAC Name: N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide
• SMILES: N[C@@H]1Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2C(S(=O)(=O)c2cccc(Cl)c2)C1
• InChI: InChI=1S/C23H19Cl3N2O3S/c24-14-3-1-4-17(10-14)32(30,31)21-11-15(27)9-13-7-8-16(12-18(13)21)28-23(29)22-19(25)5-2-6-20(22)26/h1-8,10,12,15,21H,9,11,27H2,(H,28,29)/t15-,21?/m1/s1
• InChIKey: IQVDTXFXKQYRGA-RBFZIWAESA-N
• XLogP: 5.69
• TPSA: 89.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.84
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide?

The IUPAC name of N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide (CID 118055885) is N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide.

What is the SMILES notation for N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide?

The canonical SMILES for N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide is N[C@@H]1Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2C(S(=O)(=O)c2cccc(Cl)c2)C1.

What is the InChIKey of N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide?

The InChIKey is IQVDTXFXKQYRGA-RBFZIWAESA-N. The full InChI is InChI=1S/C23H19Cl3N2O3S/c24-14-3-1-4-17(10-14)32(30,31)21-11-15(27)9-13-7-8-16(12-18(13)21)28-23(29)22-19(25)5-2-6-20(22)26/h1-8,10,12,15,21H,9,11,27H2,(H,28,29)/t15-,21?/m1/s1.

What are the key properties of N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide?

N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide has a molecular weight of 509.84 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 118055885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).