N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H27N3O2S — CID 113024892

IUPACN-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)nc2)CC1
InChIInChI=1S/C21H27N3O2S/c1-16-10-12-24(13-11-16)19-7-9-21(22-15-19)23-27(25,26)20-8-6-17-4-2-3-5-18(17)14-20/h6-9,14-16H,2-5,10-13H2,1H3,(H,22,23)
InChIKeyHELOWLVVEKKFRN-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.00
Rot. Bonds4

About N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 113024892) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID113024892
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)nc2)CC1
InChIInChI=1S/C21H27N3O2S/c1-16-10-12-24(13-11-16)19-7-9-21(22-15-19)23-27(25,26)20-8-6-17-4-2-3-5-18(17)14-20/h6-9,14-16H,2-5,10-13H2,1H3,(H,22,23)
InChIKeyHELOWLVVEKKFRN-UHFFFAOYSA-N
XLogP4.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

4-methyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113024884
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113024917
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]methanesulfonamide
CID 113024878
N-[5-(cyclopentylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024520
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113024918
4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025897
4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024649
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113030849
N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113030339
4-ethyl-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113026011
4-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024414

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 113024892) is N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CC1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)nc2)CC1.
What is the InChIKey of N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is HELOWLVVEKKFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16-10-12-24(13-11-16)19-7-9-21(22-15-19)23-27(25,26)20-8-6-17-4-2-3-5-18(17)14-20/h6-9,14-16H,2-5,10-13H2,1H3,(H,22,23).
What are the key properties of N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 385.53 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 113024892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).