N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide

C21H25N3O2S — CID 55873621

IUPACN-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccnc(N2CCCCC2)c1)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H25N3O2S/c25-27(26,20-9-8-18-6-2-3-7-19(18)15-20)23-16-17-10-11-22-21(14-17)24-12-4-1-5-13-24/h2-3,6-7,10-11,14-15,23H,1,4-5,8-9,12-13,16H2
InChIKeyYQGZBYGYOGETNG-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.48
Rot. Bonds5

About N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide

N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 55873621) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID55873621
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1ccnc(N2CCCCC2)c1)C1=Cc2ccccc2CC1
InChIInChI=1S/C21H25N3O2S/c25-27(26,20-9-8-18-6-2-3-7-19(18)15-20)23-16-17-10-11-22-21(14-17)24-12-4-1-5-13-24/h2-3,6-7,10-11,14-15,23H,1,4-5,8-9,12-13,16H2
InChIKeyYQGZBYGYOGETNG-UHFFFAOYSA-N
XLogP3.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75420088
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 55874135
3,4-difluoro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583572
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
1,2-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]imidazole-4-sulfonamide
CID 47092488
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide
CID 55873999
1-acetyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 55874007
3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide
CID 55873879
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
4-bromo-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55913754
ethane;4-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 47062228

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide (CID 55873621) is N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide is O=S(=O)(NCc1ccnc(N2CCCCC2)c1)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is YQGZBYGYOGETNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-27(26,20-9-8-18-6-2-3-7-19(18)15-20)23-16-17-10-11-22-21(14-17)24-12-4-1-5-13-24/h2-3,6-7,10-11,14-15,23H,1,4-5,8-9,12-13,16H2.
What are the key properties of N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 383.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 55873621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).