2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide

C17H22N4O3S — CID 126776510

IUPAC2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide
SMILESCOc1ccccc1N1CCC(Nc2ncccc2S(N)(=O)=O)CC1
InChIInChI=1S/C17H22N4O3S/c1-24-15-6-3-2-5-14(15)21-11-8-13(9-12-21)20-17-16(25(18,22)23)7-4-10-19-17/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyCGAJVSBHYLLSKY-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.82
Rot. Bonds5

About 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide

2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide (PubChem CID 126776510) has the molecular formula C17H22N4O3S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide
PubChem CID126776510
Molecular FormulaC17H22N4O3S
Molecular Weight362.45 g/mol
Exact Mass362.14
IUPAC Name2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide
SMILESCOc1ccccc1N1CCC(Nc2ncccc2S(N)(=O)=O)CC1
InChIInChI=1S/C17H22N4O3S/c1-24-15-6-3-2-5-14(15)21-11-8-13(9-12-21)20-17-16(25(18,22)23)7-4-10-19-17/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyCGAJVSBHYLLSKY-UHFFFAOYSA-N
XLogP1.82
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 133453551
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
2-ethyl-3-[4-(2-methoxyphenyl)sulfonylpiperidin-1-yl]pyridine
CID 91229627
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine
CID 83838435
2-[4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-4-methoxy-2-methylbenzoyl]piperazin-1-yl]benzenesulfonamide
CID 134493166
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 133404265
N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide
CID 26335696
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884797
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethanol
CID 166899340
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide?
The IUPAC name of 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide (CID 126776510) is 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide is COc1ccccc1N1CCC(Nc2ncccc2S(N)(=O)=O)CC1.
What is the InChIKey of 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide?
The InChIKey is CGAJVSBHYLLSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-24-15-6-3-2-5-14(15)21-11-8-13(9-12-21)20-17-16(25(18,22)23)7-4-10-19-17/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,20)(H2,18,22,23).
What are the key properties of 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide?
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide has a molecular weight of 362.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 126776510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).