About N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide
N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide (PubChem CID 73296628) has the molecular formula C25H30Cl2FNO5S
and a molecular weight of 546.49 g/mol. Its IUPAC name is N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide.
Molecular Properties
| Compound Name | N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide |
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| PubChem CID | 73296628 |
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| Molecular Formula | C25H30Cl2FNO5S |
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| Molecular Weight | 546.49 g/mol |
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| Exact Mass | 545.12 |
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| IUPAC Name | N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide |
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| SMILES | CC(CO)N(C(=O)C(C)(C)C)c1c(F)cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1Cl |
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| InChI | InChI=1S/C25H30Cl2FNO5S/c1-16(15-30)29(23(31)24(2,3)4)22-20(27)13-17(14-21(22)28)25(9-11-34-12-10-25)35(32,33)19-7-5-18(26)6-8-19/h5-8,13-14,16,30H,9-12,15H2,1-4H3 |
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| InChIKey | BWEOGWMKVQRBNL-UHFFFAOYSA-N |
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| XLogP | 5.37 |
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| TPSA | 83.91 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 546.49 |
| LogP ≤ 5 | 5.37 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide (CID 73296628) is N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide is CC(CO)N(C(=O)C(C)(C)C)c1c(F)cc(C2(S(=O)(=O)c3ccc(Cl)cc3)CCOCC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide?
The InChIKey is BWEOGWMKVQRBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2FNO5S/c1-16(15-30)29(23(31)24(2,3)4)22-20(27)13-17(14-21(22)28)25(9-11-34-12-10-25)35(32,33)19-7-5-18(26)6-8-19/h5-8,13-14,16,30H,9-12,15H2,1-4H3.
What are the key properties of N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide?
N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide has a molecular weight of 546.49 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[4-(4-chlorophenyl)sulfonyloxan-4-yl]-6-fluorophenyl]-N-(1-hydroxypropan-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 73296628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).