N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C18H26N4O3S — CID 92614256

About N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 92614256) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
• PubChem CID: 92614256
• Molecular Formula: C18H26N4O3S
• Molecular Weight: 378.50 g/mol
• Exact Mass: 378.17
• IUPAC Name: N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
• SMILES: COc1cccc([C@@H](CNS(=O)(=O)c2c(C)n[nH]c2C)N2CCCC2)c1
• InChI: InChI=1S/C18H26N4O3S/c1-13-18(14(2)21-20-13)26(23,24)19-12-17(22-9-4-5-10-22)15-7-6-8-16(11-15)25-3/h6-8,11,17,19H,4-5,9-10,12H2,1-3H3,(H,20,21)/t17-/m1/s1
• InChIKey: YEAXGORPIQMTDH-QGZVFWFLSA-N
• XLogP: 2.15
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.50
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

The IUPAC name of N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 92614256) is N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

What is the SMILES notation for N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

The canonical SMILES for N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COc1cccc([C@@H](CNS(=O)(=O)c2c(C)n[nH]c2C)N2CCCC2)c1.

What is the InChIKey of N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

The InChIKey is YEAXGORPIQMTDH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-13-18(14(2)21-20-13)26(23,24)19-12-17(22-9-4-5-10-22)15-7-6-8-16(11-15)25-3/h6-8,11,17,19H,4-5,9-10,12H2,1-3H3,(H,20,21)/t17-/m1/s1.

What are the key properties of N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?

N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 92614256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).