About 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 69330839) has the molecular formula C24H30ClN3O4S
and a molecular weight of 492.04 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
Molecular Properties
| Compound Name | 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide |
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| PubChem CID | 69330839 |
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| Molecular Formula | C24H30ClN3O4S |
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| Molecular Weight | 492.04 g/mol |
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| Exact Mass | 491.16 |
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| IUPAC Name | 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide |
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| SMILES | C[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |
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| InChI | InChI=1S/C24H30ClN3O4S/c1-16-6-4-5-12-27(16)23(29)17(2)28-13-11-22(24(28)30)26(3)33(31,32)21-10-8-18-14-20(25)9-7-19(18)15-21/h7-10,14-17,22H,4-6,11-13H2,1-3H3/t16-,17-,22-/m1/s1 |
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| InChIKey | WBJBTEHFYYPOTH-DRSNIGMVSA-N |
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| XLogP | 3.50 |
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| TPSA | 78.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 492.04 |
| LogP ≤ 5 | 3.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Analyze 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 69330839) is 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is C[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is WBJBTEHFYYPOTH-DRSNIGMVSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-16-6-4-5-12-27(16)23(29)17(2)28-13-11-22(24(28)30)26(3)33(31,32)21-10-8-18-14-20(25)9-7-19(18)15-21/h7-10,14-17,22H,4-6,11-13H2,1-3H3/t16-,17-,22-/m1/s1.
What are the key properties of 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 492.04 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(3R)-1-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 69330839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).