6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide

C18H22ClN5O4S — CID 57392347

About 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide

6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide (PubChem CID 57392347) has the molecular formula C18H22ClN5O4S and a molecular weight of 439.93 g/mol. Its IUPAC name is 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide.

Molecular Properties

• Compound Name: 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide
• PubChem CID: 57392347
• Molecular Formula: C18H22ClN5O4S
• Molecular Weight: 439.93 g/mol
• Exact Mass: 439.11
• IUPAC Name: 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide
• SMILES: O=C(CN1CCC[C@H](NS(=O)(=O)c2nc3ccc(Cl)cc3[nH]2)C1=O)N1CCCC1
• InChI: InChI=1S/C18H22ClN5O4S/c19-12-5-6-13-15(10-12)21-18(20-13)29(27,28)22-14-4-3-9-24(17(14)26)11-16(25)23-7-1-2-8-23/h5-6,10,14,22H,1-4,7-9,11H2,(H,20,21)/t14-/m0/s1
• InChIKey: WUESRISJSXUOKK-AWEZNQCLSA-N
• XLogP: 1.11
• TPSA: 115.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.93
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide?

The IUPAC name of 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide (CID 57392347) is 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide.

What is the SMILES notation for 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide?

The canonical SMILES for 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide is O=C(CN1CCC[C@H](NS(=O)(=O)c2nc3ccc(Cl)cc3[nH]2)C1=O)N1CCCC1.

What is the InChIKey of 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide?

The InChIKey is WUESRISJSXUOKK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22ClN5O4S/c19-12-5-6-13-15(10-12)21-18(20-13)29(27,28)22-14-4-3-9-24(17(14)26)11-16(25)23-7-1-2-8-23/h5-6,10,14,22H,1-4,7-9,11H2,(H,20,21)/t14-/m0/s1.

What are the key properties of 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide?

6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide has a molecular weight of 439.93 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1H-benzimidazole-2-sulfonamide is sourced from PubChem (CID 57392347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).