4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine

C22H23ClN4O3S — CID 54580032

IUPAC4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
SMILESCOc1cccc(S(=O)(=O)N2CCC(Nc3nccc(-c4ccc(Cl)cc4)n3)CC2)c1
InChIInChI=1S/C22H23ClN4O3S/c1-30-19-3-2-4-20(15-19)31(28,29)27-13-10-18(11-14-27)25-22-24-12-9-21(26-22)16-5-7-17(23)8-6-16/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,24,25,26)
InChIKeyJMAYLVMDOZDDGW-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.07
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine

4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (PubChem CID 54580032) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
PubChem CID54580032
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC Name4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
SMILESCOc1cccc(S(=O)(=O)N2CCC(Nc3nccc(-c4ccc(Cl)cc4)n3)CC2)c1
InChIInChI=1S/C22H23ClN4O3S/c1-30-19-3-2-4-20(15-19)31(28,29)27-13-10-18(11-14-27)25-22-24-12-9-21(26-22)16-5-7-17(23)8-6-16/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,24,25,26)
InChIKeyJMAYLVMDOZDDGW-UHFFFAOYSA-N
XLogP4.07
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzenesulfonamide
CID 11502516
4-(4-(4-Methoxyphenyl)pyrimidin-2-ylamino)benzenesulfonamide
CID 11667571
4-[[(3R,4S)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
CID 71558122
4-[[(3S,4R)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
CID 89555961
4-[[(3S,4R)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 89556077
4-((trans-4-(4-chlorophenyl)piperidin-3-yl)methoxy)-2,5-difluoro-N-(pyrimidin-4-yl)benzenesulfonamide
CID 89556129
(4-Methoxy-phenyl)-{4-[4-(piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-yl}-amine
CID 44353966
N-[1-[2-(4-methoxyanilino)pyrimidin-4-yl]pyrrolidin-3-yl]-4-propylbenzenesulfonamide
CID 44525941
N-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)pyrimidin-2-amine
CID 46172984
3-[[4-(3-Methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 137654966
1-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]methanesulfonamide
CID 56653353
4-chloro-N-[3-methoxy-4-(4-methylpyrimidin-5-yl)phenyl]benzenesulfonamide
CID 66714412

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (CID 54580032) is 4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is COc1cccc(S(=O)(=O)N2CCC(Nc3nccc(-c4ccc(Cl)cc4)n3)CC2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The InChIKey is JMAYLVMDOZDDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-30-19-3-2-4-20(15-19)31(28,29)27-13-10-18(11-14-27)25-22-24-12-9-21(26-22)16-5-7-17(23)8-6-16/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,24,25,26).
What are the key properties of 4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine has a molecular weight of 458.97 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 54580032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).