N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide

C16H16ClN3O5S — CID 4792771

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H16ClN3O5S/c17-13-3-2-12(26(23,24)20-5-7-25-8-6-20)9-14(13)19-16(22)11-1-4-15(21)18-10-11/h1-4,9-10H,5-8H2,(H,18,21)(H,19,22)
InChIKeyXKGNMEGXDZBJIM-UHFFFAOYSA-N
MW397.84 g/mol
LogP1.30
Rot. Bonds4

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 4792771) has the molecular formula C16H16ClN3O5S and a molecular weight of 397.84 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID4792771
Molecular FormulaC16H16ClN3O5S
Molecular Weight397.84 g/mol
Exact Mass397.05
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H16ClN3O5S/c17-13-3-2-12(26(23,24)20-5-7-25-8-6-20)9-14(13)19-16(22)11-1-4-15(21)18-10-11/h1-4,9-10H,5-8H2,(H,18,21)(H,19,22)
InChIKeyXKGNMEGXDZBJIM-UHFFFAOYSA-N
XLogP1.30
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 4792771) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XKGNMEGXDZBJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O5S/c17-13-3-2-12(26(23,24)20-5-7-25-8-6-20)9-14(13)19-16(22)11-1-4-15(21)18-10-11/h1-4,9-10H,5-8H2,(H,18,21)(H,19,22).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 397.84 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 4792771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).