5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide

C19H25ClN2O3S2 — CID 71449645

About 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide

5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 71449645) has the molecular formula C19H25ClN2O3S2 and a molecular weight of 429.01 g/mol. Its IUPAC name is 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
• PubChem CID: 71449645
• Molecular Formula: C19H25ClN2O3S2
• Molecular Weight: 429.01 g/mol
• Exact Mass: 428.10
• IUPAC Name: 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
• SMILES: CC(C)c1ccccc1OCCN1CC[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1
• InChI: InChI=1S/C19H25ClN2O3S2/c1-14(2)16-5-3-4-6-17(16)25-12-11-22-10-9-15(13-22)21-27(23,24)19-8-7-18(20)26-19/h3-8,14-15,21H,9-13H2,1-2H3/t15-/m0/s1
• InChIKey: WIMXOLDVKJDYQI-HNNXBMFYSA-N
• XLogP: 3.96
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.01
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?

The IUPAC name of 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 71449645) is 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.

What is the SMILES notation for 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?

The canonical SMILES for 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is CC(C)c1ccccc1OCCN1CC[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1.

What is the InChIKey of 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?

The InChIKey is WIMXOLDVKJDYQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25ClN2O3S2/c1-14(2)16-5-3-4-6-17(16)25-12-11-22-10-9-15(13-22)21-27(23,24)19-8-7-18(20)26-19/h3-8,14-15,21H,9-13H2,1-2H3/t15-/m0/s1.

What are the key properties of 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?

5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 429.01 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(3S)-1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71449645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).