(3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C19H19ClN2O3S — CID 7526917

About (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

(3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7526917) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

• Compound Name: (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
• PubChem CID: 7526917
• Molecular Formula: C19H19ClN2O3S
• Molecular Weight: 390.89 g/mol
• Exact Mass: 390.08
• IUPAC Name: (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
• SMILES: Cc1ccc(Cl)cc1NS(=O)(=O)c1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2
• InChI: InChI=1S/C19H19ClN2O3S/c1-11-5-6-14(20)9-17(11)21-26(24,25)15-8-13-4-3-7-22-18(13)16(10-15)12(2)19(22)23/h5-6,8-10,12,21H,3-4,7H2,1-2H3/t12-/m1/s1
• InChIKey: FHMMQJAJBOTFAB-GFCCVEGCSA-N
• XLogP: 3.85
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.89
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

The IUPAC name of (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7526917) is (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

What is the SMILES notation for (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

The canonical SMILES for (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2.

What is the InChIKey of (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

The InChIKey is FHMMQJAJBOTFAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-11-5-6-14(20)9-17(11)21-26(24,25)15-8-13-4-3-7-22-18(13)16(10-15)12(2)19(22)23/h5-6,8-10,12,21H,3-4,7H2,1-2H3/t12-/m1/s1.

What are the key properties of (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

(3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 390.89 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(5-chloro-2-methylphenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7526917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).