N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide

C16H19ClN4O3S — CID 88570952

IUPACN-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(Cl)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C16H19ClN4O3S/c1-24-12-5-7-13(8-6-12)25(22,23)20-16-18-14(17)11-15(19-16)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,20)
InChIKeyXXYUMGGKTYLDEW-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.93
Rot. Bonds5

About N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide

N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 88570952) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
PubChem CID88570952
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC NameN-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(Cl)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C16H19ClN4O3S/c1-24-12-5-7-13(8-6-12)25(22,23)20-16-18-14(17)11-15(19-16)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,20)
InChIKeyXXYUMGGKTYLDEW-UHFFFAOYSA-N
XLogP2.93
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]thiourea
CID 100781358
4-chloro-N-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 123974719
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-chloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27478593
4-chloro-N-(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 88570930
4-ethoxy-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 71807436
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 42753835
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 6724353
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
4-methoxy-3-methyl-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318146
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039038

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide (CID 88570952) is N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc(Cl)cc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is XXYUMGGKTYLDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-24-12-5-7-13(8-6-12)25(22,23)20-16-18-14(17)11-15(19-16)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide?
N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 382.87 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 88570952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).