4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride

C18H25ClN2O3S — CID 119968708

IUPAC4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCC2CCCNC2)c2ccccc12.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-2-23-17-9-10-18(16-8-4-3-7-15(16)17)24(21,22)20-13-14-6-5-11-19-12-14;/h3-4,7-10,14,19-20H,2,5-6,11-13H2,1H3;1H
InChIKeyUYMZOMJIQWKPMJ-UHFFFAOYSA-N
MW384.93 g/mol
LogP2.94
Rot. Bonds6

About 4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride

4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride (PubChem CID 119968708) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
PubChem CID119968708
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCC2CCCNC2)c2ccccc12.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-2-23-17-9-10-18(16-8-4-3-7-15(16)17)24(21,22)20-13-14-6-5-11-19-12-14;/h3-4,7-10,14,19-20H,2,5-6,11-13H2,1H3;1H
InChIKeyUYMZOMJIQWKPMJ-UHFFFAOYSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 120722933
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
2-N,2-N-dimethyl-1-N-(piperidin-3-ylmethyl)benzene-1,2-disulfonamide;hydrochloride
CID 120707833
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968409
2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide
CID 62348183
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide
CID 25248834
2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
4-bromo-2,5-dimethoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120707894

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of 4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride (CID 119968708) is 4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride is CCOc1ccc(S(=O)(=O)NCC2CCCNC2)c2ccccc12.Cl.
What is the InChIKey of 4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride?
The InChIKey is UYMZOMJIQWKPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S.ClH/c1-2-23-17-9-10-18(16-8-4-3-7-15(16)17)24(21,22)20-13-14-6-5-11-19-12-14;/h3-4,7-10,14,19-20H,2,5-6,11-13H2,1H3;1H.
What are the key properties of 4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride?
4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride has a molecular weight of 384.93 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119968708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).