5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide

C25H23ClN4O5S — CID 71748272

About 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide

5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide (PubChem CID 71748272) has the molecular formula C25H23ClN4O5S and a molecular weight of 527.00 g/mol. Its IUPAC name is 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide
• PubChem CID: 71748272
• Molecular Formula: C25H23ClN4O5S
• Molecular Weight: 527.00 g/mol
• Exact Mass: 526.11
• IUPAC Name: 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide
• SMILES: NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCO[C@H](COc2ccccc2-c2ccncc2)C1
• InChI: InChI=1S/C25H23ClN4O5S/c26-17-5-6-21-20(13-17)24(23(29-21)25(27)31)36(32,33)30-11-12-34-18(14-30)15-35-22-4-2-1-3-19(22)16-7-9-28-10-8-16/h1-10,13,18,29H,11-12,14-15H2,(H2,27,31)/t18-/m0/s1
• InChIKey: LKMPPNLZTZLHOW-SFHVURJKSA-N
• XLogP: 3.45
• TPSA: 127.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.00
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide?

The IUPAC name of 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide (CID 71748272) is 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide.

What is the SMILES notation for 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide?

The canonical SMILES for 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCO[C@H](COc2ccccc2-c2ccncc2)C1.

What is the InChIKey of 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide?

The InChIKey is LKMPPNLZTZLHOW-SFHVURJKSA-N. The full InChI is InChI=1S/C25H23ClN4O5S/c26-17-5-6-21-20(13-17)24(23(29-21)25(27)31)36(32,33)30-11-12-34-18(14-30)15-35-22-4-2-1-3-19(22)16-7-9-28-10-8-16/h1-10,13,18,29H,11-12,14-15H2,(H2,27,31)/t18-/m0/s1.

What are the key properties of 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide?

5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide has a molecular weight of 527.00 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[(2S)-2-[(2-pyridin-4-ylphenoxy)methyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71748272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).