N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide

C16H16ClN5O5S — CID 108520203

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide
SMILESO=C(Nc1ncccn1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C16H16ClN5O5S/c17-12-3-2-11(28(25,26)22-6-8-27-9-7-22)10-13(12)20-14(23)15(24)21-16-18-4-1-5-19-16/h1-5,10H,6-9H2,(H,20,23)(H,18,19,21,24)
InChIKeyHULDVRJBPZCWER-UHFFFAOYSA-N
MW425.85 g/mol
LogP0.73
Rot. Bonds4

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide (PubChem CID 108520203) has the molecular formula C16H16ClN5O5S and a molecular weight of 425.85 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide
PubChem CID108520203
Molecular FormulaC16H16ClN5O5S
Molecular Weight425.85 g/mol
Exact Mass425.06
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide
SMILESO=C(Nc1ncccn1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C16H16ClN5O5S/c17-12-3-2-11(28(25,26)22-6-8-27-9-7-22)10-13(12)20-14(23)15(24)21-16-18-4-1-5-19-16/h1-5,10H,6-9H2,(H,20,23)(H,18,19,21,24)
InChIKeyHULDVRJBPZCWER-UHFFFAOYSA-N
XLogP0.73
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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N-(2-acetamidoethyl)-N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)oxamide
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2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
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[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
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N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
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N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
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N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
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N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide chloride
CID 42997088
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4641528
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-methylfuran-2-carboxamide
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1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide (CID 108520203) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide is O=C(Nc1ncccn1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide?
The InChIKey is HULDVRJBPZCWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O5S/c17-12-3-2-11(28(25,26)22-6-8-27-9-7-22)10-13(12)20-14(23)15(24)21-16-18-4-1-5-19-16/h1-5,10H,6-9H2,(H,20,23)(H,18,19,21,24).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide has a molecular weight of 425.85 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide is sourced from PubChem (CID 108520203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).