4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C21H29N3O2S — CID 16888102

IUPAC4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C21H29N3O2S/c1-2-5-18-7-9-21(10-8-18)27(25,26)23-16-19-11-14-24(15-12-19)17-20-6-3-4-13-22-20/h3-4,6-10,13,19,23H,2,5,11-12,14-17H2,1H3
InChIKeyQTCCWIPNONZOCH-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.22
Rot. Bonds8

About 4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16888102) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16888102
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C21H29N3O2S/c1-2-5-18-7-9-21(10-8-18)27(25,26)23-16-19-11-14-24(15-12-19)17-20-6-3-4-13-22-20/h3-4,6-10,13,19,23H,2,5,11-12,14-17H2,1H3
InChIKeyQTCCWIPNONZOCH-UHFFFAOYSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888154
2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888133
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide
CID 16887611
4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3704165
2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888118
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822
4-propoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888065
N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
CID 95211899
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16888102) is 4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is QTCCWIPNONZOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-2-5-18-7-9-21(10-8-18)27(25,26)23-16-19-11-14-24(15-12-19)17-20-6-3-4-13-22-20/h3-4,6-10,13,19,23H,2,5,11-12,14-17H2,1H3.
What are the key properties of 4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 387.55 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16888102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).