3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine

C17H20ClN3O2S — CID 136512662

IUPAC3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ccncc3Cl)CC2)cc1
InChIInChI=1S/C17H20ClN3O2S/c1-13-2-4-15(5-3-13)24(22,23)21-10-7-14(8-11-21)20-17-6-9-19-12-16(17)18/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,19,20)
InChIKeyUDBHRTAFUFDCMB-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.31
Rot. Bonds4

About 3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine

3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine (PubChem CID 136512662) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
PubChem CID136512662
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ccncc3Cl)CC2)cc1
InChIInChI=1S/C17H20ClN3O2S/c1-13-2-4-15(5-3-13)24(22,23)21-10-7-14(8-11-21)20-17-6-9-19-12-16(17)18/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,19,20)
InChIKeyUDBHRTAFUFDCMB-UHFFFAOYSA-N
XLogP3.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine
CID 75521032
N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 3977208
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 175864648
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-amine
CID 24607590
2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79840057
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 17451201
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 91653166
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122052821
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine (CID 136512662) is 3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine is Cc1ccc(S(=O)(=O)N2CCC(Nc3ccncc3Cl)CC2)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine?
The InChIKey is UDBHRTAFUFDCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-13-2-4-15(5-3-13)24(22,23)21-10-7-14(8-11-21)20-17-6-9-19-12-16(17)18/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine?
3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine has a molecular weight of 365.89 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine is sourced from PubChem (CID 136512662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).