About N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 11585625) has the molecular formula C27H35Cl2FN4O5S2
and a molecular weight of 649.64 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide.
Molecular Properties
| Compound Name | N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide |
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| PubChem CID | 11585625 |
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| Molecular Formula | C27H35Cl2FN4O5S2 |
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| Molecular Weight | 649.64 g/mol |
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| Exact Mass | 648.14 |
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| IUPAC Name | N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide |
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| SMILES | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 |
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| InChI | InChI=1S/C27H35Cl2FN4O5S2/c1-40(36,37)33-17-9-20(10-18-33)27(35)34(23-5-8-25(28)26(29)19-23)14-2-13-32-15-11-22(12-16-32)31-41(38,39)24-6-3-21(30)4-7-24/h3-8,19-20,22,31H,2,9-18H2,1H3 |
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| InChIKey | ZROHYZUVGTZBOE-UHFFFAOYSA-N |
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| XLogP | 3.97 |
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| TPSA | 107.10 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 649.64 |
| LogP ≤ 5 | 3.97 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 11585625) is N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZROHYZUVGTZBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35Cl2FN4O5S2/c1-40(36,37)33-17-9-20(10-18-33)27(35)34(23-5-8-25(28)26(29)19-23)14-2-13-32-15-11-22(12-16-32)31-41(38,39)24-6-3-21(30)4-7-24/h3-8,19-20,22,31H,2,9-18H2,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 649.64 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11585625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).