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

C22H23ClN4O3S — CID 54584951

IUPAC4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3nccc(-c4ccc(Cl)cc4)n3)CC2)cc1
InChIInChI=1S/C22H23ClN4O3S/c1-30-19-6-8-20(9-7-19)31(28,29)27-14-11-18(12-15-27)25-22-24-13-10-21(26-22)16-2-4-17(23)5-3-16/h2-10,13,18H,11-12,14-15H2,1H3,(H,24,25,26)
InChIKeyHTNLNTHGKMUUQE-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.07
Rot. Bonds6

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

4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (PubChem CID 54584951) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
PubChem CID54584951
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC Name4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3nccc(-c4ccc(Cl)cc4)n3)CC2)cc1
InChIInChI=1S/C22H23ClN4O3S/c1-30-19-6-8-20(9-7-19)31(28,29)27-14-11-18(12-15-27)25-22-24-13-10-21(26-22)16-2-4-17(23)5-3-16/h2-10,13,18H,11-12,14-15H2,1H3,(H,24,25,26)
InChIKeyHTNLNTHGKMUUQE-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

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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
3-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-4-methoxy-N-methylbenzenesulfonamide
CID 68304991
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
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-methoxybenzenesulfonamide
CID 42743689
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-methoxy-N-methylbenzenesulfonamide
CID 42743701
(4-Methoxy-phenyl)-{4-[4-(piperazine-1-sulfonyl)-phenyl]-pyrimidin-2-yl}-amine
CID 44353966
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-4-methoxybenzenesulfonamide
CID 44415058
N-[1-[2-(4-methoxyanilino)pyrimidin-4-yl]pyrrolidin-3-yl]-4-propylbenzenesulfonamide
CID 44525941

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine (CID 54584951) is 4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is COc1ccc(S(=O)(=O)N2CCC(Nc3nccc(-c4ccc(Cl)cc4)n3)CC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
The InChIKey is HTNLNTHGKMUUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-30-19-6-8-20(9-7-19)31(28,29)27-14-11-18(12-15-27)25-22-24-13-10-21(26-22)16-2-4-17(23)5-3-16/h2-10,13,18H,11-12,14-15H2,1H3,(H,24,25,26).
What are the key properties of 4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine?
4-(4-chlorophenyl)-N-[1-(4-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-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 54584951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).