4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide

C21H27N3O3S — CID 67478721

IUPAC4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(Oc3ncccc3C3CCNCC3)C2)cc1
InChIInChI=1S/C21H27N3O3S/c1-15-4-6-19(7-5-15)28(25,26)24-17-13-18(14-17)27-21-20(3-2-10-23-21)16-8-11-22-12-9-16/h2-7,10,16-18,22,24H,8-9,11-14H2,1H3
InChIKeyUZCZZRJVCNNCJJ-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.75
Rot. Bonds6

About 4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide

4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide (PubChem CID 67478721) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide
PubChem CID67478721
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(Oc3ncccc3C3CCNCC3)C2)cc1
InChIInChI=1S/C21H27N3O3S/c1-15-4-6-19(7-5-15)28(25,26)24-17-13-18(14-17)27-21-20(3-2-10-23-21)16-8-11-22-12-9-16/h2-7,10,16-18,22,24H,8-9,11-14H2,1H3
InChIKeyUZCZZRJVCNNCJJ-UHFFFAOYSA-N
XLogP2.75
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide with MolForge

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Related Compounds

1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
CID 58547694
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
2-chloro-7-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
CID 159164139
4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 32684915
trans-(1R,3R)-3-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 6943892
2-methyl-N-piperidin-4-ylpyridin-3-amine
CID 79041620
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 104600641
[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
CID 123312806
2-chloro-8-methylquinoline;3-(oxan-4-yl)-2-piperidin-4-yloxypyridine;hydrochloride
CID 158280503
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide (CID 67478721) is 4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC(Oc3ncccc3C3CCNCC3)C2)cc1.
What is the InChIKey of 4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide?
The InChIKey is UZCZZRJVCNNCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-15-4-6-19(7-5-15)28(25,26)24-17-13-18(14-17)27-21-20(3-2-10-23-21)16-8-11-22-12-9-16/h2-7,10,16-18,22,24H,8-9,11-14H2,1H3.
What are the key properties of 4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide?
4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide has a molecular weight of 401.53 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(3-piperidin-4-yl-2-pyridinyl)oxy]cyclobutyl]benzenesulfonamide is sourced from PubChem (CID 67478721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).