About N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide (PubChem CID 11444247) has the molecular formula C23H18ClN9O4S
and a molecular weight of 551.98 g/mol. Its IUPAC name is N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide.
Molecular Properties
| Compound Name | N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide |
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| PubChem CID | 11444247 |
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| Molecular Formula | C23H18ClN9O4S |
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| Molecular Weight | 551.98 g/mol |
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| Exact Mass | 551.09 |
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| IUPAC Name | N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide |
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| SMILES | COc1ccccc1Oc1c(Cl)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1NS(=O)(=O)c1ccc(C)cn1 |
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| InChI | InChI=1S/C23H18ClN9O4S/c1-13-7-8-18(26-12-13)38(34,35)31-23-19(37-17-6-4-3-5-16(17)36-2)20(24)27-21(28-23)14-9-10-25-15(11-14)22-29-32-33-30-22/h3-12H,1-2H3,(H,27,28,31)(H,29,30,32,33) |
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| InChIKey | VIRPCTOFAVYDRF-UHFFFAOYSA-N |
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| XLogP | 3.68 |
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| TPSA | 170.65 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 551.98 |
| LogP ≤ 5 | 3.68 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
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Frequently Asked Questions
What is the IUPAC name of N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?
The IUPAC name of N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide (CID 11444247) is N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide.
What is the SMILES notation for N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?
The canonical SMILES for N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide is COc1ccccc1Oc1c(Cl)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1NS(=O)(=O)c1ccc(C)cn1.
What is the InChIKey of N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?
The InChIKey is VIRPCTOFAVYDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN9O4S/c1-13-7-8-18(26-12-13)38(34,35)31-23-19(37-17-6-4-3-5-16(17)36-2)20(24)27-21(28-23)14-9-10-25-15(11-14)22-29-32-33-30-22/h3-12H,1-2H3,(H,27,28,31)(H,29,30,32,33).
What are the key properties of N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide?
N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide has a molecular weight of 551.98 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide is sourced from PubChem (CID 11444247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).