3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

C22H27ClN2O4S — CID 41093506

About 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 41093506) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
• PubChem CID: 41093506
• Molecular Formula: C22H27ClN2O4S
• Molecular Weight: 450.99 g/mol
• Exact Mass: 450.14
• IUPAC Name: 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
• SMILES: COc1ccc([C@@H](CNC(=O)CCS(=O)(=O)c2ccccc2Cl)N2CCCC2)cc1
• InChI: InChI=1S/C22H27ClN2O4S/c1-29-18-10-8-17(9-11-18)20(25-13-4-5-14-25)16-24-22(26)12-15-30(27,28)21-7-3-2-6-19(21)23/h2-3,6-11,20H,4-5,12-16H2,1H3,(H,24,26)/t20-/m1/s1
• InChIKey: GUYOMSBIJZGTSX-HXUWFJFHSA-N
• XLogP: 3.47
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.99
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?

The IUPAC name of 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 41093506) is 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.

What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?

The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is COc1ccc([C@@H](CNC(=O)CCS(=O)(=O)c2ccccc2Cl)N2CCCC2)cc1.

What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?

The InChIKey is GUYOMSBIJZGTSX-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-29-18-10-8-17(9-11-18)20(25-13-4-5-14-25)16-24-22(26)12-15-30(27,28)21-7-3-2-6-19(21)23/h2-3,6-11,20H,4-5,12-16H2,1H3,(H,24,26)/t20-/m1/s1.

What are the key properties of 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?

3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 450.99 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)sulfonyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 41093506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).