1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C17H19ClN4O4S — CID 167745984

IUPAC1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)C1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C17H19ClN4O4S/c1-26-13-4-2-3-5-14(13)27(24,25)21-16(23)12-7-10-22(11-8-12)15-6-9-19-17(18)20-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,21,23)
InChIKeyLNNPHBNDPHYAPN-UHFFFAOYSA-N
MW410.88 g/mol
LogP1.86
Rot. Bonds5

About 1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide

1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 167745984) has the molecular formula C17H19ClN4O4S and a molecular weight of 410.88 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID167745984
Molecular FormulaC17H19ClN4O4S
Molecular Weight410.88 g/mol
Exact Mass410.08
IUPAC Name1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)NC(=O)C1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C17H19ClN4O4S/c1-26-13-4-2-3-5-14(13)27(24,25)21-16(23)12-7-10-22(11-8-12)15-6-9-19-17(18)20-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,21,23)
InChIKeyLNNPHBNDPHYAPN-UHFFFAOYSA-N
XLogP1.86
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 167745984) is 1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccccc1S(=O)(=O)NC(=O)C1CCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LNNPHBNDPHYAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4S/c1-26-13-4-2-3-5-14(13)27(24,25)21-16(23)12-7-10-22(11-8-12)15-6-9-19-17(18)20-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,21,23).
What are the key properties of 1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 410.88 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)-N-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 167745984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).