(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide

C21H23ClN8O5S — CID 134523283

About (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide

(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide (PubChem CID 134523283) has the molecular formula C21H23ClN8O5S and a molecular weight of 534.99 g/mol. Its IUPAC name is (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide.

Molecular Properties

• Compound Name: (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide
• PubChem CID: 134523283
• Molecular Formula: C21H23ClN8O5S
• Molecular Weight: 534.99 g/mol
• Exact Mass: 534.12
• IUPAC Name: (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide
• SMILES: COc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c3ncc(Cl)cn3)n2Cc2cc(C)on2)n1
• InChI: InChI=1S/C21H23ClN8O5S/c1-12-8-15(28-35-12)11-30-20(16-6-5-7-17(25-16)33-3)26-27-21(30)29-36(31,32)13(2)18(34-4)19-23-9-14(22)10-24-19/h5-10,13,18H,11H2,1-4H3,(H,27,29)/t13-,18-/m0/s1
• InChIKey: RCLHENAFNFDGLV-UGSOOPFHSA-N
• XLogP: 2.65
• TPSA: 160.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.99
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide?

The IUPAC name of (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide (CID 134523283) is (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide.

What is the SMILES notation for (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide?

The canonical SMILES for (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide is COc1cccc(-c2nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c3ncc(Cl)cn3)n2Cc2cc(C)on2)n1.

What is the InChIKey of (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide?

The InChIKey is RCLHENAFNFDGLV-UGSOOPFHSA-N. The full InChI is InChI=1S/C21H23ClN8O5S/c1-12-8-15(28-35-12)11-30-20(16-6-5-7-17(25-16)33-3)26-27-21(30)29-36(31,32)13(2)18(34-4)19-23-9-14(22)10-24-19/h5-10,13,18H,11H2,1-4H3,(H,27,29)/t13-,18-/m0/s1.

What are the key properties of (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide?

(1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide has a molecular weight of 534.99 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S)-1-(5-chloropyrimidin-2-yl)-1-methoxy-N-[5-(6-methoxy-2-pyridinyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-yl]propane-2-sulfonamide is sourced from PubChem (CID 134523283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).