4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide

C21H27N3O4S — CID 121108109

IUPAC4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-2-15-28-19-3-5-20(6-4-19)29(26,27)23-16-17-9-13-24(14-10-17)21(25)18-7-11-22-12-8-18/h3-8,11-12,17,23H,2,9-10,13-16H2,1H3
InChIKeyVNNXUUZCOFFOKH-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.70
Rot. Bonds8

About 4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide

4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 121108109) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID121108109
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-2-15-28-19-3-5-20(6-4-19)29(26,27)23-16-17-9-13-24(14-10-17)21(25)18-7-11-22-12-8-18/h3-8,11-12,17,23H,2,9-10,13-16H2,1H3
InChIKeyVNNXUUZCOFFOKH-UHFFFAOYSA-N
XLogP2.70
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 71786382
4-propoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888065
4-ethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521148
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121108054
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
4-propoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563620
1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108693
methyl N-[4-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methylsulfamoyl]phenyl]carbamate
CID 71806969
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone
CID 8924542

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 121108109) is 4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1.
What is the InChIKey of 4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is VNNXUUZCOFFOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-2-15-28-19-3-5-20(6-4-19)29(26,27)23-16-17-9-13-24(14-10-17)21(25)18-7-11-22-12-8-18/h3-8,11-12,17,23H,2,9-10,13-16H2,1H3.
What are the key properties of 4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide?
4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121108109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).